N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide

C15H12N4O — CID 110702680

IUPACN-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1ncnc2ccccc12
InChIInChI=1S/C15H12N4O/c20-15(17-9-11-5-7-16-8-6-11)14-12-3-1-2-4-13(12)18-10-19-14/h1-8,10H,9H2,(H,17,20)
InChIKeyHPYVZCQMCWEGTP-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds3

About N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide

N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide (PubChem CID 110702680) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
PubChem CID110702680
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1ncnc2ccccc12
InChIInChI=1S/C15H12N4O/c20-15(17-9-11-5-7-16-8-6-11)14-12-3-1-2-4-13(12)18-10-19-14/h1-8,10H,9H2,(H,17,20)
InChIKeyHPYVZCQMCWEGTP-UHFFFAOYSA-N
XLogP1.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[3-(dimethylamino)propyl]quinazoline-4-carboxamide
CID 110702658
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
CID 2826173
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
N-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 141351888
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
CID 71701880
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide (CID 110702680) is N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide is O=C(NCc1ccncc1)c1ncnc2ccccc12.
What is the InChIKey of N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide?
The InChIKey is HPYVZCQMCWEGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(17-9-11-5-7-16-8-6-11)14-12-3-1-2-4-13(12)18-10-19-14/h1-8,10H,9H2,(H,17,20).
What are the key properties of N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide?
N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 110702680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).