N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C27H31N5O2 — CID 42787876

IUPACN-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4CCC(C)CC4)c3C2)c1
InChIInChI=1S/C27H31N5O2/c1-19-11-14-31(15-12-19)26-23-18-32(27(33)28-21-9-6-10-22(17-21)34-2)16-13-24(23)29-25(30-26)20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3,(H,28,33)
InChIKeyYXQMFUHDOOTUNH-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.98
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42787876) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42787876
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4CCC(C)CC4)c3C2)c1
InChIInChI=1S/C27H31N5O2/c1-19-11-14-31(15-12-19)26-23-18-32(27(33)28-21-9-6-10-22(17-21)34-2)16-13-24(23)29-25(30-26)20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3,(H,28,33)
InChIKeyYXQMFUHDOOTUNH-UHFFFAOYSA-N
XLogP4.98
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 4026439
N-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 5260842
4-[ethyl(methyl)amino]-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7327023
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787895
N-(3-chlorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787841
4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871033
N-(3-ethylphenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787853
4-(2,6-dimethylmorpholin-4-yl)-N-(3-ethylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786966
N-(3-chlorophenyl)-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46160236
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050901
1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
CID 42787809
[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-nitrophenyl)methanone
CID 42787798

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42787876) is N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4CCC(C)CC4)c3C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is YXQMFUHDOOTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-19-11-14-31(15-12-19)26-23-18-32(27(33)28-21-9-6-10-22(17-21)34-2)16-13-24(23)29-25(30-26)20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3,(H,28,33).
What are the key properties of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42787876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).