N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide

C30H32N2O3 — CID 11684198

IUPACN-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCOc1cc(CN(C(=O)C2=C(c3cccc(-c4ccccc4)c3)CCNC2)C2CC2)cc(OC)c1
InChIInChI=1S/C30H32N2O3/c1-34-26-15-21(16-27(18-26)35-2)20-32(25-11-12-25)30(33)29-19-31-14-13-28(29)24-10-6-9-23(17-24)22-7-4-3-5-8-22/h3-10,15-18,25,31H,11-14,19-20H2,1-2H3
InChIKeyBBYRGESJZGRFKV-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.31
Rot. Bonds8

About N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide

N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 11684198) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID11684198
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC NameN-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCOc1cc(CN(C(=O)C2=C(c3cccc(-c4ccccc4)c3)CCNC2)C2CC2)cc(OC)c1
InChIInChI=1S/C30H32N2O3/c1-34-26-15-21(16-27(18-26)35-2)20-32(25-11-12-25)30(33)29-19-31-14-13-28(29)24-10-6-9-23(17-24)22-7-4-3-5-8-22/h3-10,15-18,25,31H,11-14,19-20H2,1-2H3
InChIKeyBBYRGESJZGRFKV-UHFFFAOYSA-N
XLogP5.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-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-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11526556
N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11555842
tert-butyl 5-[cyclopropyl-[[3-methoxy-5-(2-methoxyethoxy)phenyl]methyl]carbamoyl]-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177496
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 59177398
tert-butyl 5-[cyclopropyl-[[3-methoxy-5-[2-(oxan-2-yloxy)ethoxy]phenyl]methyl]carbamoyl]-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177664
tert-butyl 5-[cyclopropyl-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]carbamoyl]-4-[3-(3-hydroxyphenyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177544
tert-butyl 5-[cyclopropyl-[[3-(3-methoxypropoxy)-5-methylphenyl]methyl]carbamoyl]-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177339
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11555258
2-[(3S,4S,5R)-5-[cyclopropyl-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]carbamoyl]-4-(3-phenylphenyl)piperidin-3-yl]oxyacetic acid
CID 11848056
N-cyclopropyl-N-[(2-fluoro-5-methoxyphenyl)methyl]-4-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 10325664
N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 10438725
N-cyclopropyl-N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]-6-oxo-1-(3-phenylphenyl)piperazine-2-carboxamide
CID 12001735

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 11684198) is N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is COc1cc(CN(C(=O)C2=C(c3cccc(-c4ccccc4)c3)CCNC2)C2CC2)cc(OC)c1.
What is the InChIKey of N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
The InChIKey is BBYRGESJZGRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-34-26-15-21(16-27(18-26)35-2)20-32(25-11-12-25)30(33)29-19-31-14-13-28(29)24-10-6-9-23(17-24)22-7-4-3-5-8-22/h3-10,15-18,25,31H,11-14,19-20H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 11684198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).