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

C16H13N5O2 — CID 135963145

IUPACN-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c(-c2cccnc2)n1)c1cccnc1
InChIInChI=1S/C16H13N5O2/c22-14-7-13(10-19-16(23)12-4-2-6-18-9-12)20-15(21-14)11-3-1-5-17-8-11/h1-9H,10H2,(H,19,23)(H,20,21,22)
InChIKeyIJUISQLLXDPQAX-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.16
Rot. Bonds4

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

N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 135963145) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID135963145
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c(-c2cccnc2)n1)c1cccnc1
InChIInChI=1S/C16H13N5O2/c22-14-7-13(10-19-16(23)12-4-2-6-18-9-12)20-15(21-14)11-3-1-5-17-8-11/h1-9H,10H2,(H,19,23)(H,20,21,22)
InChIKeyIJUISQLLXDPQAX-UHFFFAOYSA-N
XLogP1.16
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891759
trans-(1S,2S)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891760
N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide
CID 136850861
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136682072
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 100630430
3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 136816395

Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide (CID 135963145) is N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide is O=C(NCc1cc(=O)[nH]c(-c2cccnc2)n1)c1cccnc1.
What is the InChIKey of N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IJUISQLLXDPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-14-7-13(10-19-16(23)12-4-2-6-18-9-12)20-15(21-14)11-3-1-5-17-8-11/h1-9H,10H2,(H,19,23)(H,20,21,22).
What are the key properties of N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide?
N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 135963145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).