N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide

C14H12N6O — CID 71789901

IUPACN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCc1nccn1-c1ncc(NC(=O)c2cccnc2)cn1
InChIInChI=1S/C14H12N6O/c1-10-16-5-6-20(10)14-17-8-12(9-18-14)19-13(21)11-3-2-4-15-7-11/h2-9H,1H3,(H,19,21)
InChIKeyHMWRTPZCXZXCES-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.62
Rot. Bonds3

About N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide

N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide (PubChem CID 71789901) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
PubChem CID71789901
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCc1nccn1-c1ncc(NC(=O)c2cccnc2)cn1
InChIInChI=1S/C14H12N6O/c1-10-16-5-6-20(10)14-17-8-12(9-18-14)19-13(21)11-3-2-4-15-7-11/h2-9H,1H3,(H,19,21)
InChIKeyHMWRTPZCXZXCES-UHFFFAOYSA-N
XLogP1.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide (CID 71789901) is N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide is Cc1nccn1-c1ncc(NC(=O)c2cccnc2)cn1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The InChIKey is HMWRTPZCXZXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-10-16-5-6-20(10)14-17-8-12(9-18-14)19-13(21)11-3-2-4-15-7-11/h2-9H,1H3,(H,19,21).
What are the key properties of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71789901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).