N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide

C16H14N4O2 — CID 84513157

IUPACN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
SMILESCn1c(CNC(=O)c2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c1-20-14(10-18-15(21)11-6-8-17-9-7-11)19-13-5-3-2-4-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21)
InChIKeyJDRGAWRHGKKNIU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.26
Rot. Bonds3

About N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 84513157) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID84513157
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
SMILESCn1c(CNC(=O)c2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c1-20-14(10-18-15(21)11-6-8-17-9-7-11)19-13-5-3-2-4-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21)
InChIKeyJDRGAWRHGKKNIU-UHFFFAOYSA-N
XLogP1.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
N-cyclopropyl-4-[3-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 91944049
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965654
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide (CID 84513157) is N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide is Cn1c(CNC(=O)c2ccncc2)nc2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is JDRGAWRHGKKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-14(10-18-15(21)11-6-8-17-9-7-11)19-13-5-3-2-4-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide?
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 84513157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).