2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide

C14H15N5O2 — CID 112524228

IUPAC2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2cnc(C)nc2)ccn1
InChIInChI=1S/C14H15N5O2/c1-9-16-7-13(8-17-9)19-14(21)11-3-4-15-12(5-11)6-18-10(2)20/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDBLCAIFYRMOGHU-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.07
Rot. Bonds4

About 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide

2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 112524228) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID112524228
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2cnc(C)nc2)ccn1
InChIInChI=1S/C14H15N5O2/c1-9-16-7-13(8-17-9)19-14(21)11-3-4-15-12(5-11)6-18-10(2)20/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDBLCAIFYRMOGHU-UHFFFAOYSA-N
XLogP1.07
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 112524302
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide (CID 112524228) is 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide is CC(=O)NCc1cc(C(=O)Nc2cnc(C)nc2)ccn1.
What is the InChIKey of 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is DBLCAIFYRMOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-16-7-13(8-17-9)19-14(21)11-3-4-15-12(5-11)6-18-10(2)20/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide?
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112524228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).