N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide

C9H12N4O2 — CID 62172228

IUPACN-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC(N)=O
InChIInChI=1S/C9H12N4O2/c1-11-8-6(3-2-4-12-8)9(15)13-5-7(10)14/h2-4H,5H2,1H3,(H2,10,14)(H,11,12)(H,13,15)
InChIKeyIJWDPFLSGLSLGM-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.66
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62172228) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62172228
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC(N)=O
InChIInChI=1S/C9H12N4O2/c1-11-8-6(3-2-4-12-8)9(15)13-5-7(10)14/h2-4H,5H2,1H3,(H2,10,14)(H,11,12)(H,13,15)
InChIKeyIJWDPFLSGLSLGM-UHFFFAOYSA-N
XLogP-0.66
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 106347134
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
CID 125436111
2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 62179696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide (CID 62172228) is N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is IJWDPFLSGLSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-11-8-6(3-2-4-12-8)9(15)13-5-7(10)14/h2-4H,5H2,1H3,(H2,10,14)(H,11,12)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62172228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).