N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C33H43F3N8O — CID 11411031

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C33H43F3N8O/c1-31(2,20-42(5)6)19-38-30(45)28-40-25-18-44(29-24(33(34,35)36)9-8-14-37-29)15-12-22(25)27(41-28)39-21-10-11-23-26(17-21)43(7)16-13-32(23,3)4/h8-11,14,17H,12-13,15-16,18-20H2,1-7H3,(H,38,45)(H,39,40,41)
InChIKeyVCVBWKWCXNDWPB-UHFFFAOYSA-N
MW624.76 g/mol
LogP5.63
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 11411031) has the molecular formula C33H43F3N8O and a molecular weight of 624.76 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID11411031
Molecular FormulaC33H43F3N8O
Molecular Weight624.76 g/mol
Exact Mass624.35
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C33H43F3N8O/c1-31(2,20-42(5)6)19-38-30(45)28-40-25-18-44(29-24(33(34,35)36)9-8-14-37-29)15-12-22(25)27(41-28)39-21-10-11-23-26(17-21)43(7)16-13-32(23,3)4/h8-11,14,17H,12-13,15-16,18-20H2,1-7H3,(H,38,45)(H,39,40,41)
InChIKeyVCVBWKWCXNDWPB-UHFFFAOYSA-N
XLogP5.63
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.76
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 11411031) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is CN(C)CC(C)(C)CNC(=O)c1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is VCVBWKWCXNDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F3N8O/c1-31(2,20-42(5)6)19-38-30(45)28-40-25-18-44(29-24(33(34,35)36)9-8-14-37-29)15-12-22(25)27(41-28)39-21-10-11-23-26(17-21)43(7)16-13-32(23,3)4/h8-11,14,17H,12-13,15-16,18-20H2,1-7H3,(H,38,45)(H,39,40,41).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 624.76 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 11411031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).