N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

C16H14N6O2 — CID 25117147

IUPACN-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1c(CNC(=O)c2cccnc2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C16H14N6O2/c1-22-14(9-19-16(24)11-3-2-5-17-8-11)21-13(7-15(22)23)12-4-6-18-10-20-12/h2-8,10H,9H2,1H3,(H,19,24)
InChIKeyATWOBPPYYMZOID-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.56
Rot. Bonds4

About N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 25117147) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID25117147
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1c(CNC(=O)c2cccnc2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C16H14N6O2/c1-22-14(9-19-16(24)11-3-2-5-17-8-11)21-13(7-15(22)23)12-4-6-18-10-20-12/h2-8,10H,9H2,1H3,(H,19,24)
InChIKeyATWOBPPYYMZOID-UHFFFAOYSA-N
XLogP0.56
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (CID 25117147) is N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is Cn1c(CNC(=O)c2cccnc2)nc(-c2ccncn2)cc1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ATWOBPPYYMZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-22-14(9-19-16(24)11-3-2-5-17-8-11)21-13(7-15(22)23)12-4-6-18-10-20-12/h2-8,10H,9H2,1H3,(H,19,24).
What are the key properties of N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 25117147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).