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

C22H29N5O — CID 7238756

IUPACN-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3nc(C)nc(N4CCCCC4)c3C2)cc1
InChIInChI=1S/C22H29N5O/c1-3-17-7-9-18(10-8-17)25-22(28)27-14-11-20-19(15-27)21(24-16(2)23-20)26-12-5-4-6-13-26/h7-10H,3-6,11-15H2,1-2H3,(H,25,28)
InChIKeyHMAGSCVSFXYLKL-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.93
Rot. Bonds3

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

N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7238756) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID7238756
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3nc(C)nc(N4CCCCC4)c3C2)cc1
InChIInChI=1S/C22H29N5O/c1-3-17-7-9-18(10-8-17)25-22(28)27-14-11-20-19(15-27)21(24-16(2)23-20)26-12-5-4-6-13-26/h7-10H,3-6,11-15H2,1-2H3,(H,25,28)
InChIKeyHMAGSCVSFXYLKL-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-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)-4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7495584
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-(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
ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
CID 5260770
1-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42786598
[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclohexylmethanone
CID 5260777
ethyl 4-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-oxobutanoate
CID 7347691
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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7238756) is N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1ccc(NC(=O)N2CCc3nc(C)nc(N4CCCCC4)c3C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is HMAGSCVSFXYLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-17-7-9-18(10-8-17)25-22(28)27-14-11-20-19(15-27)21(24-16(2)23-20)26-12-5-4-6-13-26/h7-10H,3-6,11-15H2,1-2H3,(H,25,28).
What are the key properties of N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7238756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).