2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide

C84H81N23O10 — CID 162011393

IUPAC2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(-c4nn[nH]n4)ncc3N3CCCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(N)=O)ncc3N3CCCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(N)=O)ncc3N3CCCC3)cc12.[C-]#[N+]c1cc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c(N2CCCC2)cn1
InChIInChI=1S/C21H20N8O2.2C21H21N5O3.C21H19N5O2/c1-12-8-19(30)24-16-5-4-13(9-14(12)16)23-21(31)15-10-17(20-25-27-28-26-20)22-11-18(15)29-6-2-3-7-29;2*1-12-8-19(27)25-16-5-4-13(9-14(12)16)24-21(29)15-10-17(20(22)28)23-11-18(15)26-6-2-3-7-26;1-13-9-20(27)25-17-6-5-14(10-15(13)17)24-21(28)16-11-19(22-2)23-12-18(16)26-7-3-4-8-26/h4-5,8-11H,2-3,6-7H2,1H3,(H,23,31)(H,24,30)(H,25,26,27,28);2*4-5,8-11H,2-3,6-7H2,1H3,(H2,22,28)(H,24,29)(H,25,27);5-6,9-12H,3-4,7-8H2,1H3,(H,24,28)(H,25,27)
InChIKeyYTNIFWZLCDPASJ-UHFFFAOYSA-N
MW1572.72 g/mol
LogP10.26
Rot. Bonds15

About 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide

2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide (PubChem CID 162011393) has the molecular formula C84H81N23O10 and a molecular weight of 1572.72 g/mol. Its IUPAC name is 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide
PubChem CID162011393
Molecular FormulaC84H81N23O10
Molecular Weight1572.72 g/mol
Exact Mass1571.65
IUPAC Name2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(-c4nn[nH]n4)ncc3N3CCCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(N)=O)ncc3N3CCCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(N)=O)ncc3N3CCCC3)cc12.[C-]#[N+]c1cc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c(N2CCCC2)cn1
InChIInChI=1S/C21H20N8O2.2C21H21N5O3.C21H19N5O2/c1-12-8-19(30)24-16-5-4-13(9-14(12)16)23-21(31)15-10-17(20-25-27-28-26-20)22-11-18(15)29-6-2-3-7-29;2*1-12-8-19(27)25-16-5-4-13(9-14(12)16)24-21(29)15-10-17(20(22)28)23-11-18(15)26-6-2-3-7-26;1-13-9-20(27)25-17-6-5-14(10-15(13)17)24-21(28)16-11-19(22-2)23-12-18(16)26-7-3-4-8-26/h4-5,8-11H,2-3,6-7H2,1H3,(H,23,31)(H,24,30)(H,25,26,27,28);2*4-5,8-11H,2-3,6-7H2,1H3,(H2,22,28)(H,24,29)(H,25,27);5-6,9-12H,3-4,7-8H2,1H3,(H,24,28)(H,25,27)
InChIKeyYTNIFWZLCDPASJ-UHFFFAOYSA-N
XLogP10.26
TPSA457.36 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.72
LogP ≤ 510.26
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
CID 118695977
5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 140820718
5-[[2-hydroxyethyl(methyl)amino]methyl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylbenzamide
CID 118695250
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
CID 157255920
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
CID 118695105
5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide
CID 118695149
5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118694872
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134
5-(dimethylsulfamoyl)-2-(3-hydroxypyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118695136
2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 118695126
2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 118695003

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide (CID 162011393) is 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(-c4nn[nH]n4)ncc3N3CCCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(N)=O)ncc3N3CCCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(N)=O)ncc3N3CCCC3)cc12.[C-]#[N+]c1cc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c(N2CCCC2)cn1.
What is the InChIKey of 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is YTNIFWZLCDPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2.2C21H21N5O3.C21H19N5O2/c1-12-8-19(30)24-16-5-4-13(9-14(12)16)23-21(31)15-10-17(20-25-27-28-26-20)22-11-18(15)29-6-2-3-7-29;2*1-12-8-19(27)25-16-5-4-13(9-14(12)16)24-21(29)15-10-17(20(22)28)23-11-18(15)26-6-2-3-7-26;1-13-9-20(27)25-17-6-5-14(10-15(13)17)24-21(28)16-11-19(22-2)23-12-18(16)26-7-3-4-8-26/h4-5,8-11H,2-3,6-7H2,1H3,(H,23,31)(H,24,30)(H,25,26,27,28);2*4-5,8-11H,2-3,6-7H2,1H3,(H2,22,28)(H,24,29)(H,25,27);5-6,9-12H,3-4,7-8H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide?
2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 1572.72 g/mol, XLogP of 10.26, 15 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 162011393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).