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

C28H27N5O — CID 25157951

IUPACN-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C28H27N5O/c1-3-20-8-6-9-22(17-20)30-28(34)33-16-13-25-24(18-33)26(23-10-5-4-7-19(23)2)32-27(31-25)21-11-14-29-15-12-21/h4-12,14-15,17H,3,13,16,18H2,1-2H3,(H,30,34)
InChIKeyULLGPFLSMWEVIB-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.67
Rot. Bonds4

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

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 25157951) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID25157951
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC NameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C28H27N5O/c1-3-20-8-6-9-22(17-20)30-28(34)33-16-13-25-24(18-33)26(23-10-5-4-7-19(23)2)32-27(31-25)21-11-14-29-15-12-21/h4-12,14-15,17H,3,13,16,18H2,1-2H3,(H,30,34)
InChIKeyULLGPFLSMWEVIB-UHFFFAOYSA-N
XLogP5.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 25157951) is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is ULLGPFLSMWEVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-3-20-8-6-9-22(17-20)30-28(34)33-16-13-25-24(18-33)26(23-10-5-4-7-19(23)2)32-27(31-25)21-11-14-29-15-12-21/h4-12,14-15,17H,3,13,16,18H2,1-2H3,(H,30,34).
What are the key properties of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25157951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).