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

C24H29N7O — CID 71457644

IUPAC2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C24H29N7O/c1-29(2)23-27-21-13-16-31(24(32)26-19-10-5-4-6-11-19)17-20(21)22(28-23)30(3)15-12-18-9-7-8-14-25-18/h4-11,14H,12-13,15-17H2,1-3H3,(H,26,32)
InChIKeyUOTPRKVJCIDVMD-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.21
Rot. Bonds6

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

2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71457644) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71457644
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C24H29N7O/c1-29(2)23-27-21-13-16-31(24(32)26-19-10-5-4-6-11-19)17-20(21)22(28-23)30(3)15-12-18-9-7-8-14-25-18/h4-11,14H,12-13,15-17H2,1-3H3,(H,26,32)
InChIKeyUOTPRKVJCIDVMD-UHFFFAOYSA-N
XLogP3.21
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71457644) is 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CN(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is UOTPRKVJCIDVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-29(2)23-27-21-13-16-31(24(32)26-19-10-5-4-6-11-19)17-20(21)22(28-23)30(3)15-12-18-9-7-8-14-25-18/h4-11,14H,12-13,15-17H2,1-3H3,(H,26,32).
What are the key properties of 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71457644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).