2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide

C13H13N5O2 — CID 112524302

IUPAC2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2ccncn2)ccn1
InChIInChI=1S/C13H13N5O2/c1-9(19)16-7-11-6-10(2-5-15-11)13(20)18-12-3-4-14-8-17-12/h2-6,8H,7H2,1H3,(H,16,19)(H,14,17,18,20)
InChIKeyJVZNKZNTGQYBPU-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.76
Rot. Bonds4

About 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide

2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide (PubChem CID 112524302) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
PubChem CID112524302
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2ccncn2)ccn1
InChIInChI=1S/C13H13N5O2/c1-9(19)16-7-11-6-10(2-5-15-11)13(20)18-12-3-4-14-8-17-12/h2-6,8H,7H2,1H3,(H,16,19)(H,14,17,18,20)
InChIKeyJVZNKZNTGQYBPU-UHFFFAOYSA-N
XLogP0.76
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide (CID 112524302) is 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide is CC(=O)NCc1cc(C(=O)Nc2ccncn2)ccn1.
What is the InChIKey of 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide?
The InChIKey is JVZNKZNTGQYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-9(19)16-7-11-6-10(2-5-15-11)13(20)18-12-3-4-14-8-17-12/h2-6,8H,7H2,1H3,(H,16,19)(H,14,17,18,20).
What are the key properties of 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide?
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 112524302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).