N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide

C22H23N5O4 — CID 118695105

IUPACN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N3CCCCC3C)cc12
InChIInChI=1S/C22H23N5O4/c1-13-9-20(28)25-19-7-6-15(10-17(13)19)24-22(29)18-11-16(27(30)31)12-23-21(18)26-8-4-3-5-14(26)2/h6-7,9-12,14H,3-5,8H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyJILFCTYGRBYTFI-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.77
Rot. Bonds4

About N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide

N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide (PubChem CID 118695105) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
PubChem CID118695105
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N3CCCCC3C)cc12
InChIInChI=1S/C22H23N5O4/c1-13-9-20(28)25-19-7-6-15(10-17(13)19)24-22(29)18-11-16(27(30)31)12-23-21(18)26-8-4-3-5-14(26)2/h6-7,9-12,14H,3-5,8H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyJILFCTYGRBYTFI-UHFFFAOYSA-N
XLogP3.77
TPSA121.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Dap-81
CID 9548005
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
N-(5-nitropyridin-2-yl)pyridine-3-carboxamide
CID 2837056
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10833725
(4-Methyl-3-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 878223
N-(6-methyl-2-pyridinyl)-5-nitro-2-(1-piperidinyl)benzamide
CID 2970193
2-{3-Nitro-4-methylanilino}nicotinamide
CID 901926
N-(2-carbamoylphenyl)-2-(piperidin-1-yl)pyridine-3-carboxamide
CID 2997445
N-(3-ethylphenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 9902148
2-[3-[4-(2-benzylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10766280
11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 13269694

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide (CID 118695105) is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N3CCCCC3C)cc12.
What is the InChIKey of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is JILFCTYGRBYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-13-9-20(28)25-19-7-6-15(10-17(13)19)24-22(29)18-11-16(27(30)31)12-23-21(18)26-8-4-3-5-14(26)2/h6-7,9-12,14H,3-5,8H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide?
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 118695105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).