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

C28H26ClN5O — CID 54585443

IUPACN-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cc(Cl)cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C28H26ClN5O/c1-3-19-13-21(29)15-22(14-19)31-28(35)34-12-10-25-24(17-34)26(23-9-5-4-7-18(23)2)33-27(32-25)20-8-6-11-30-16-20/h4-9,11,13-16H,3,10,12,17H2,1-2H3,(H,31,35)
InChIKeyLRBOERLHXGWTDM-UHFFFAOYSA-N
MW484.00 g/mol
LogP6.32
Rot. Bonds4

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

N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54585443) has the molecular formula C28H26ClN5O and a molecular weight of 484.00 g/mol. Its IUPAC name is N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54585443
Molecular FormulaC28H26ClN5O
Molecular Weight484.00 g/mol
Exact Mass483.18
IUPAC NameN-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cc(Cl)cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1
InChIInChI=1S/C28H26ClN5O/c1-3-19-13-21(29)15-22(14-19)31-28(35)34-12-10-25-24(17-34)26(23-9-5-4-7-18(23)2)33-27(32-25)20-8-6-11-30-16-20/h4-9,11,13-16H,3,10,12,17H2,1-2H3,(H,31,35)
InChIKeyLRBOERLHXGWTDM-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 N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54585443) is N-(3-chloro-5-ethylphenyl)-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-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cc(Cl)cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1.
What is the InChIKey of N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is LRBOERLHXGWTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O/c1-3-19-13-21(29)15-22(14-19)31-28(35)34-12-10-25-24(17-34)26(23-9-5-4-7-18(23)2)33-27(32-25)20-8-6-11-30-16-20/h4-9,11,13-16H,3,10,12,17H2,1-2H3,(H,31,35).
What are the key properties of N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-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 N-(3-chloro-5-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54585443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).