N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C37H37ClN4O5 — CID 129135874

IUPACN-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
SMILESCOc1cc(C2=CC(c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)c(Cl)c3)=C(N)NC2)ccc1O
InChIInChI=1S/C37H37ClN4O5/c1-22-3-5-24(6-4-22)29-20-42(19-23-11-13-47-14-12-23)21-30(35(29)44)37(45)41-32-9-7-26(16-31(32)38)28-15-27(18-40-36(28)39)25-8-10-33(43)34(17-25)46-2/h3-10,15-17,20-21,23,40,43H,11-14,18-19,39H2,1-2H3,(H,41,45)
InChIKeyDUXSQSACMROIFA-UHFFFAOYSA-N
MW653.18 g/mol
LogP6.18
Rot. Bonds8

About N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 129135874) has the molecular formula C37H37ClN4O5 and a molecular weight of 653.18 g/mol. Its IUPAC name is N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
PubChem CID129135874
Molecular FormulaC37H37ClN4O5
Molecular Weight653.18 g/mol
Exact Mass652.25
IUPAC NameN-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
SMILESCOc1cc(C2=CC(c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)c(Cl)c3)=C(N)NC2)ccc1O
InChIInChI=1S/C37H37ClN4O5/c1-22-3-5-24(6-4-22)29-20-42(19-23-11-13-47-14-12-23)21-30(35(29)44)37(45)41-32-9-7-26(16-31(32)38)28-15-27(18-40-36(28)39)25-8-10-33(43)34(17-25)46-2/h3-10,15-17,20-21,23,40,43H,11-14,18-19,39H2,1-2H3,(H,41,45)
InChIKeyDUXSQSACMROIFA-UHFFFAOYSA-N
XLogP6.18
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.18
LogP ≤ 56.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135869
N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135523
N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135687
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(4-bromophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110706
N-[4-[2-amino-5-(2-methoxy-6-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135695
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(4-cyanophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300293
5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300479
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 147745828
N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135742
N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 175415570
N-[4-[2-amino-5-(4-hydroxy-3-nitrosophenyl)phenyl]phenyl]-5-(4-ethylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 118657284
N-[4-[2-amino-5-[4-(1,3-dioxolan-4-ylmethoxy)-3-methoxyphenyl]-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-methyl-1,2-dihydropyridin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 163826775

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 129135874) is N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is COc1cc(C2=CC(c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)c(Cl)c3)=C(N)NC2)ccc1O.
What is the InChIKey of N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The InChIKey is DUXSQSACMROIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37ClN4O5/c1-22-3-5-24(6-4-22)29-20-42(19-23-11-13-47-14-12-23)21-30(35(29)44)37(45)41-32-9-7-26(16-31(32)38)28-15-27(18-40-36(28)39)25-8-10-33(43)34(17-25)46-2/h3-10,15-17,20-21,23,40,43H,11-14,18-19,39H2,1-2H3,(H,41,45).
What are the key properties of N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 653.18 g/mol, XLogP of 6.18, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-3-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-5-yl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 129135874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).