3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile

C15H12N4O — CID 72719384

IUPAC3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3ncncc3C2)c1
InChIInChI=1S/C15H12N4O/c16-7-11-2-1-3-12(6-11)15(20)19-5-4-14-13(9-19)8-17-10-18-14/h1-3,6,8,10H,4-5,9H2
InChIKeyOLBJZMURGVKQCF-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.55
Rot. Bonds1

About 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile

3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile (PubChem CID 72719384) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
PubChem CID72719384
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3ncncc3C2)c1
InChIInChI=1S/C15H12N4O/c16-7-11-2-1-3-12(6-11)15(20)19-5-4-14-13(9-19)8-17-10-18-14/h1-3,6,8,10H,4-5,9H2
InChIKeyOLBJZMURGVKQCF-UHFFFAOYSA-N
XLogP1.55
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone
CID 90621035
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
3-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzonitrile
CID 97463815
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 72719472
3-(8-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 114523287
3-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)benzonitrile
CID 61151051
3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 77089409
3-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 118742816

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
The IUPAC name of 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile (CID 72719384) is 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile.
What is the SMILES notation for 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
The canonical SMILES for 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCc3ncncc3C2)c1.
What is the InChIKey of 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
The InChIKey is OLBJZMURGVKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-7-11-2-1-3-12(6-11)15(20)19-5-4-14-13(9-19)8-17-10-18-14/h1-3,6,8,10H,4-5,9H2.
What are the key properties of 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile has a molecular weight of 264.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile is sourced from PubChem (CID 72719384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).