2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C21H28N6O — CID 42855641

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)N1CCc2nc(N3CCc4ccccc4C3)nc(N(C)C)c2C1
InChIInChI=1S/C21H28N6O/c1-4-22-21(28)27-12-10-18-17(14-27)19(25(2)3)24-20(23-18)26-11-9-15-7-5-6-8-16(15)13-26/h5-8H,4,9-14H2,1-3H3,(H,22,28)
InChIKeySRHNUXPCWIDKHI-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.19
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42855641) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42855641
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)N1CCc2nc(N3CCc4ccccc4C3)nc(N(C)C)c2C1
InChIInChI=1S/C21H28N6O/c1-4-22-21(28)27-12-10-18-17(14-27)19(25(2)3)24-20(23-18)26-11-9-15-7-5-6-8-16(15)13-26/h5-8H,4,9-14H2,1-3H3,(H,22,28)
InChIKeySRHNUXPCWIDKHI-UHFFFAOYSA-N
XLogP2.19
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 42855529
N-benzyl-4-(dimethylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072747
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-3-nitrophenyl)methanone
CID 46072642
N-benzyl-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288433
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methylphenyl)methanone
CID 46050652
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050646
(2S)-1-[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 93001972
N-ethyl-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3969184
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-quinoxalin-2-ylmethanone
CID 42870808
2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050930
4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072958
1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855724

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42855641) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCNC(=O)N1CCc2nc(N3CCc4ccccc4C3)nc(N(C)C)c2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is SRHNUXPCWIDKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-4-22-21(28)27-12-10-18-17(14-27)19(25(2)3)24-20(23-18)26-11-9-15-7-5-6-8-16(15)13-26/h5-8H,4,9-14H2,1-3H3,(H,22,28).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42855641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).