N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide

C16H23N5O2 — CID 57037529

IUPACN-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1ccc(N(C)C)nc1)CC(=O)NCC#N
InChIInChI=1S/C16H23N5O2/c1-12(10-15(22)18-9-7-17)6-8-19-16(23)13-4-5-14(20-11-13)21(2)3/h4-5,11-12H,6,8-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyGFNLOOKGIOLUES-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.93
Rot. Bonds8

About N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 57037529) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID57037529
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1ccc(N(C)C)nc1)CC(=O)NCC#N
InChIInChI=1S/C16H23N5O2/c1-12(10-15(22)18-9-7-17)6-8-19-16(23)13-4-5-14(20-11-13)21(2)3/h4-5,11-12H,6,8-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyGFNLOOKGIOLUES-UHFFFAOYSA-N
XLogP0.93
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 87953358
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 96523164
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 55023997
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 57037529) is N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide is CC(CCNC(=O)c1ccc(N(C)C)nc1)CC(=O)NCC#N.
What is the InChIKey of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is GFNLOOKGIOLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12(10-15(22)18-9-7-17)6-8-19-16(23)13-4-5-14(20-11-13)21(2)3/h4-5,11-12H,6,8-10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 57037529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).