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

C29H29N5O — CID 54586443

IUPAC4-(2,6-dimethylphenyl)-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(C)cccc4C)c3C2)c1
InChIInChI=1S/C29H29N5O/c1-4-21-10-6-12-23(16-21)31-29(35)34-15-13-25-24(18-34)27(26-19(2)8-5-9-20(26)3)33-28(32-25)22-11-7-14-30-17-22/h5-12,14,16-17H,4,13,15,18H2,1-3H3,(H,31,35)
InChIKeyJLMAYMOTYPBMJB-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.98
Rot. Bonds4

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

4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54586443) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID54586443
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name4-(2,6-dimethylphenyl)-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(C)cccc4C)c3C2)c1
InChIInChI=1S/C29H29N5O/c1-4-21-10-6-12-23(16-21)31-29(35)34-15-13-25-24(18-34)27(26-19(2)8-5-9-20(26)3)33-28(32-25)22-11-7-14-30-17-22/h5-12,14,16-17H,4,13,15,18H2,1-3H3,(H,31,35)
InChIKeyJLMAYMOTYPBMJB-UHFFFAOYSA-N
XLogP5.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-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-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54586443) is 4-(2,6-dimethylphenyl)-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-dimethylphenyl)-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-dimethylphenyl)-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(C)cccc4C)c3C2)c1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is JLMAYMOTYPBMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c1-4-21-10-6-12-23(16-21)31-29(35)34-15-13-25-24(18-34)27(26-19(2)8-5-9-20(26)3)33-28(32-25)22-11-7-14-30-17-22/h5-12,14,16-17H,4,13,15,18H2,1-3H3,(H,31,35).
What are the key properties of 4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54586443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).