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

C30H30Cl2N2O — CID 59177398

IUPACN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCCc1cc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)CNCC2)cc(-c2ccccc2)c1
InChIInChI=1S/C30H30Cl2N2O/c1-2-20-15-23(21-7-4-3-5-8-21)17-24(16-20)26-13-14-33-18-27(26)30(35)34(25-11-12-25)19-22-9-6-10-28(31)29(22)32/h3-10,15-17,25,33H,2,11-14,18-19H2,1H3
InChIKeyYRBBXOWUOYMROW-UHFFFAOYSA-N
MW505.49 g/mol
LogP7.16
Rot. Bonds7

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

N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 59177398) has the molecular formula C30H30Cl2N2O and a molecular weight of 505.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID59177398
Molecular FormulaC30H30Cl2N2O
Molecular Weight505.49 g/mol
Exact Mass504.17
IUPAC NameN-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCCc1cc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)CNCC2)cc(-c2ccccc2)c1
InChIInChI=1S/C30H30Cl2N2O/c1-2-20-15-23(21-7-4-3-5-8-21)17-24(16-20)26-13-14-33-18-27(26)30(35)34(25-11-12-25)19-22-9-6-10-28(31)29(22)32/h3-10,15-17,25,33H,2,11-14,18-19H2,1H3
InChIKeyYRBBXOWUOYMROW-UHFFFAOYSA-N
XLogP7.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.49
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11555258
N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 10393895
N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11684198
(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide
CID 59375287
tert-butyl 5-[cyclopropyl-[(2,3-dichlorophenyl)methyl]carbamoyl]-4-[3-(4-hydroxyphenyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177500
N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11526556
(6S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-6-(hydroxymethyl)-4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 56849326
1-benzyl-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-5-carboxamide
CID 59177514
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-hydroxy-4-(3-phenylphenyl)piperidine-3-carboxamide
CID 11562321
(6S)-N-[(2-chloro-3-iodophenyl)methyl]-N-cyclopropyl-6-(methoxymethoxymethyl)-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 66596172
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 59177398) is N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is CCc1cc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)CNCC2)cc(-c2ccccc2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
The InChIKey is YRBBXOWUOYMROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N2O/c1-2-20-15-23(21-7-4-3-5-8-21)17-24(16-20)26-13-14-33-18-27(26)30(35)34(25-11-12-25)19-22-9-6-10-28(31)29(22)32/h3-10,15-17,25,33H,2,11-14,18-19H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 505.49 g/mol, XLogP of 7.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 59177398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).