N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C9H13N3O2 — CID 103804777

IUPACN-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCN)c[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-4-8(13)7(5-12-6)9(14)11-3-2-10/h4-5H,2-3,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyXCARXIPPAWUWGR-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.63
Rot. Bonds3

About N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103804777) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103804777
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCN)c[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-4-8(13)7(5-12-6)9(14)11-3-2-10/h4-5H,2-3,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyXCARXIPPAWUWGR-UHFFFAOYSA-N
XLogP-0.63
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718186
N-[2-[butan-2-yl(methyl)amino]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717923
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103804777) is N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCN)c[nH]1.
What is the InChIKey of N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XCARXIPPAWUWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-4-8(13)7(5-12-6)9(14)11-3-2-10/h4-5H,2-3,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103804777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).