N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C23H33N6O+ — CID 7495584

IUPACN-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3nc(C)nc(N4CC[NH+](CC)CC4)c3C2)cc1
InChIInChI=1S/C23H32N6O/c1-4-18-6-8-19(9-7-18)26-23(30)29-11-10-21-20(16-29)22(25-17(3)24-21)28-14-12-27(5-2)13-15-28/h6-9H,4-5,10-16H2,1-3H3,(H,26,30)/p+1
InChIKeyNVZHFCFLWAQJAX-UHFFFAOYSA-O
MW409.56 g/mol
LogP1.66
Rot. Bonds4

About N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7495584) has the molecular formula C23H33N6O+ and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID7495584
Molecular FormulaC23H33N6O+
Molecular Weight409.56 g/mol
Exact Mass409.27
IUPAC NameN-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3nc(C)nc(N4CC[NH+](CC)CC4)c3C2)cc1
InChIInChI=1S/C23H32N6O/c1-4-18-6-8-19(9-7-18)26-23(30)29-11-10-21-20(16-29)22(25-17(3)24-21)28-14-12-27(5-2)13-15-28/h6-9H,4-5,10-16H2,1-3H3,(H,26,30)/p+1
InChIKeyNVZHFCFLWAQJAX-UHFFFAOYSA-O
XLogP1.66
TPSA65.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-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

N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7238756
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7495576
4-[ethyl(methyl)amino]-N-(4-ethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7328435
N-(4-chlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3514674
N-(4-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46126799
N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7283435
4-[ethyl(methyl)amino]-N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7415075
N-(2-bromophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499343
N-(2,3-dichlorophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7419509
N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301444
N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 83283735
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7262349

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7495584) is N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1ccc(NC(=O)N2CCc3nc(C)nc(N4CC[NH+](CC)CC4)c3C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is NVZHFCFLWAQJAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H32N6O/c1-4-18-6-8-19(9-7-18)26-23(30)29-11-10-21-20(16-29)22(25-17(3)24-21)28-14-12-27(5-2)13-15-28/h6-9H,4-5,10-16H2,1-3H3,(H,26,30)/p+1.
What are the key properties of N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7495584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).