6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C12H12N4O2 — CID 91628505

IUPAC6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2cccnc2)ncn1
InChIInChI=1S/C12H12N4O2/c1-18-11-5-10(15-8-16-11)12(17)14-7-9-3-2-4-13-6-9/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyNSZXTQLIOLPSOQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.81
Rot. Bonds4

About 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 91628505) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID91628505
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2cccnc2)ncn1
InChIInChI=1S/C12H12N4O2/c1-18-11-5-10(15-8-16-11)12(17)14-7-9-3-2-4-13-6-9/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyNSZXTQLIOLPSOQ-UHFFFAOYSA-N
XLogP0.81
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
Pyrimidine-4-carboxamide, 82
CID 44520967
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338401
Pyrimidine-4-carboxamide, 87
CID 44520956
Pyrimidine-4-carboxamide, 88
CID 44520970
N-[1-(6-methoxy-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 137647885

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 91628505) is 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is COc1cc(C(=O)NCc2cccnc2)ncn1.
What is the InChIKey of 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is NSZXTQLIOLPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-11-5-10(15-8-16-11)12(17)14-7-9-3-2-4-13-6-9/h2-6,8H,7H2,1H3,(H,14,17).
What are the key properties of 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).