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

C27H23Cl2N5O — CID 54580587

IUPAC4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(Cl)cccc4Cl)c3C2)c1
InChIInChI=1S/C27H23Cl2N5O/c1-2-17-6-3-8-19(14-17)31-27(35)34-13-11-23-20(16-34)25(24-21(28)9-4-10-22(24)29)33-26(32-23)18-7-5-12-30-15-18/h3-10,12,14-15H,2,11,13,16H2,1H3,(H,31,35)
InChIKeyIRYDZYNRVMWIEJ-UHFFFAOYSA-N
MW504.42 g/mol
LogP6.66
Rot. Bonds4

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

4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54580587) has the molecular formula C27H23Cl2N5O and a molecular weight of 504.42 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54580587
Molecular FormulaC27H23Cl2N5O
Molecular Weight504.42 g/mol
Exact Mass503.13
IUPAC Name4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(Cl)cccc4Cl)c3C2)c1
InChIInChI=1S/C27H23Cl2N5O/c1-2-17-6-3-8-19(14-17)31-27(35)34-13-11-23-20(16-34)25(24-21(28)9-4-10-22(24)29)33-26(32-23)18-7-5-12-30-15-18/h3-10,12,14-15H,2,11,13,16H2,1H3,(H,31,35)
InChIKeyIRYDZYNRVMWIEJ-UHFFFAOYSA-N
XLogP6.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.42
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54580587) is 4-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(2,6-dichlorophenyl)-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(-c4c(Cl)cccc4Cl)c3C2)c1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is IRYDZYNRVMWIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O/c1-2-17-6-3-8-19(14-17)31-27(35)34-13-11-23-20(16-34)25(24-21(28)9-4-10-22(24)29)33-26(32-23)18-7-5-12-30-15-18/h3-10,12,14-15H,2,11,13,16H2,1H3,(H,31,35).
What are the key properties of 4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 504.42 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54580587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).