3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile

C25H24N6O — CID 5260847

IUPAC3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc(-c4cccnc4)nc(N4CCCCC4)c3C2)c1
InChIInChI=1S/C25H24N6O/c26-15-18-6-4-7-19(14-18)25(32)31-13-9-22-21(17-31)24(30-11-2-1-3-12-30)29-23(28-22)20-8-5-10-27-16-20/h4-8,10,14,16H,1-3,9,11-13,17H2
InChIKeyCLVQPNBIRYRBAQ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.60
Rot. Bonds3

About 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile

3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile (PubChem CID 5260847) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
PubChem CID5260847
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc(-c4cccnc4)nc(N4CCCCC4)c3C2)c1
InChIInChI=1S/C25H24N6O/c26-15-18-6-4-7-19(14-18)25(32)31-13-9-22-21(17-31)24(30-11-2-1-3-12-30)29-23(28-22)20-8-5-10-27-16-20/h4-8,10,14,16H,1-3,9,11-13,17H2
InChIKeyCLVQPNBIRYRBAQ-UHFFFAOYSA-N
XLogP3.60
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile
CID 5260872
(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 4243699
4-(azepan-1-yl)-N-cyclohexyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 5260879
3-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)benzonitrile
CID 53165148
N-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 5260842
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
(4-bromophenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786935
3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 5217862
3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 72719384
(4-tert-butylphenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786931
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
[4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 133349146

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
The IUPAC name of 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile (CID 5260847) is 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile.
What is the SMILES notation for 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
The canonical SMILES for 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCc3nc(-c4cccnc4)nc(N4CCCCC4)c3C2)c1.
What is the InChIKey of 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
The InChIKey is CLVQPNBIRYRBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c26-15-18-6-4-7-19(14-18)25(32)31-13-9-22-21(17-31)24(30-11-2-1-3-12-30)29-23(28-22)20-8-5-10-27-16-20/h4-8,10,14,16H,1-3,9,11-13,17H2.
What are the key properties of 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile?
3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile has a molecular weight of 424.51 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile is sourced from PubChem (CID 5260847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).