N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide

C11H17N3O3 — CID 106152482

IUPACN-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H17N3O3/c1-17-7-8(2-4-12)14-11(16)9-6-13-5-3-10(9)15/h3,5-6,8H,2,4,7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyPLRJINCVVGXOAP-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.53
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide

N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106152482) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106152482
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H17N3O3/c1-17-7-8(2-4-12)14-11(16)9-6-13-5-3-10(9)15/h3,5-6,8H,2,4,7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyPLRJINCVVGXOAP-UHFFFAOYSA-N
XLogP-0.53
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114178138
5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 114038720
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 106182249
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 106152482) is N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide is COCC(CCN)NC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PLRJINCVVGXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-7-8(2-4-12)14-11(16)9-6-13-5-3-10(9)15/h3,5-6,8H,2,4,7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106152482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).