N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide

C12H15N3O3 — CID 81443007

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccncc1O
InChIInChI=1S/C12H15N3O3/c1-15(7-11(17)14-8-2-3-8)12(18)9-4-5-13-6-10(9)16/h4-6,8,16H,2-3,7H2,1H3,(H,14,17)
InChIKeyCUVVQYDQVDQNAN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.14
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide (PubChem CID 81443007) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
PubChem CID81443007
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccncc1O
InChIInChI=1S/C12H15N3O3/c1-15(7-11(17)14-8-2-3-8)12(18)9-4-5-13-6-10(9)16/h4-6,8,16H,2-3,7H2,1H3,(H,14,17)
InChIKeyCUVVQYDQVDQNAN-UHFFFAOYSA-N
XLogP0.14
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 80707237
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide (CID 81443007) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1ccncc1O.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
The InChIKey is CUVVQYDQVDQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15(7-11(17)14-8-2-3-8)12(18)9-4-5-13-6-10(9)16/h4-6,8,16H,2-3,7H2,1H3,(H,14,17).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 81443007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).