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

C28H26ClN5O — CID 54585445

IUPAC4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccc(Cl)cc4C)c3C2)c1
InChIInChI=1S/C28H26ClN5O/c1-3-19-6-4-8-22(15-19)31-28(35)34-13-11-25-24(17-34)26(23-10-9-21(29)14-18(23)2)33-27(32-25)20-7-5-12-30-16-20/h4-10,12,14-16H,3,11,13,17H2,1-2H3,(H,31,35)
InChIKeyWDXYFNVYBQWTCP-UHFFFAOYSA-N
MW484.00 g/mol
LogP6.32
Rot. Bonds4

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

4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54585445) has the molecular formula C28H26ClN5O and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54585445
Molecular FormulaC28H26ClN5O
Molecular Weight484.00 g/mol
Exact Mass483.18
IUPAC Name4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccc(Cl)cc4C)c3C2)c1
InChIInChI=1S/C28H26ClN5O/c1-3-19-6-4-8-22(15-19)31-28(35)34-13-11-25-24(17-34)26(23-10-9-21(29)14-18(23)2)33-27(32-25)20-7-5-12-30-16-20/h4-10,12,14-16H,3,11,13,17H2,1-2H3,(H,31,35)
InChIKeyWDXYFNVYBQWTCP-UHFFFAOYSA-N
XLogP6.32
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54585445) is 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccc(Cl)cc4C)c3C2)c1.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WDXYFNVYBQWTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O/c1-3-19-6-4-8-22(15-19)31-28(35)34-13-11-25-24(17-34)26(23-10-9-21(29)14-18(23)2)33-27(32-25)20-7-5-12-30-16-20/h4-10,12,14-16H,3,11,13,17H2,1-2H3,(H,31,35).
What are the key properties of 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54585445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).