N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C26H22ClN5O — CID 54587430

IUPACN-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C26H22ClN5O/c1-17-6-2-3-10-21(17)24-22-16-32(26(33)29-20-9-4-8-19(27)14-20)13-11-23(22)30-25(31-24)18-7-5-12-28-15-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,33)
InChIKeyPHUYENHUFVQQEU-UHFFFAOYSA-N
MW455.95 g/mol
LogP5.76
Rot. Bonds3

About N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54587430) has the molecular formula C26H22ClN5O and a molecular weight of 455.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54587430
Molecular FormulaC26H22ClN5O
Molecular Weight455.95 g/mol
Exact Mass455.15
IUPAC NameN-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C26H22ClN5O/c1-17-6-2-3-10-21(17)24-22-16-32(26(33)29-20-9-4-8-19(27)14-20)13-11-23(22)30-25(31-24)18-7-5-12-28-15-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,33)
InChIKeyPHUYENHUFVQQEU-UHFFFAOYSA-N
XLogP5.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54587430) is N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is PHUYENHUFVQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O/c1-17-6-2-3-10-21(17)24-22-16-32(26(33)29-20-9-4-8-19(27)14-20)13-11-23(22)30-25(31-24)18-7-5-12-28-15-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,33).
What are the key properties of N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54587430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).