4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C27H27N7O — CID 71452327

IUPAC4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C27H27N7O/c1-33(17-12-21-7-5-6-14-29-21)26-23-19-34(27(35)30-22-8-3-2-4-9-22)18-13-24(23)31-25(32-26)20-10-15-28-16-11-20/h2-11,14-16H,12-13,17-19H2,1H3,(H,30,35)
InChIKeyPYZJDHPVSZXKSA-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.20
Rot. Bonds6

About 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71452327) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71452327
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C27H27N7O/c1-33(17-12-21-7-5-6-14-29-21)26-23-19-34(27(35)30-22-8-3-2-4-9-22)18-13-24(23)31-25(32-26)20-10-15-28-16-11-20/h2-11,14-16H,12-13,17-19H2,1H3,(H,30,35)
InChIKeyPYZJDHPVSZXKSA-UHFFFAOYSA-N
XLogP4.20
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71452327) is 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is PYZJDHPVSZXKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-33(17-12-21-7-5-6-14-29-21)26-23-19-34(27(35)30-22-8-3-2-4-9-22)18-13-24(23)31-25(32-26)20-10-15-28-16-11-20/h2-11,14-16H,12-13,17-19H2,1H3,(H,30,35).
What are the key properties of 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71452327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).