N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide

C35H41Cl3N4O3 — CID 142696418

IUPACN-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
SMILESCOCCc1ccc(Cl)c(CN(C(=O)C2CNCCC2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1
InChIInChI=1S/C35H41Cl3N4O3/c1-22-15-31(37)34(32(38)16-22)45-27-10-13-41(21-27)33-8-4-24(18-40-33)28-9-12-39-19-29(28)35(43)42(26-5-6-26)20-25-17-23(11-14-44-2)3-7-30(25)36/h3-4,7-8,15-18,26-29,39H,5-6,9-14,19-21H2,1-2H3/t27-,28?,29?/m0/s1
InChIKeyIZSGQPAFIIQCJJ-VSPYUBNUSA-N
MW672.10 g/mol
LogP7.08
Rot. Bonds11

About N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide

N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide (PubChem CID 142696418) has the molecular formula C35H41Cl3N4O3 and a molecular weight of 672.10 g/mol. Its IUPAC name is N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
PubChem CID142696418
Molecular FormulaC35H41Cl3N4O3
Molecular Weight672.10 g/mol
Exact Mass670.22
IUPAC NameN-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
SMILESCOCCc1ccc(Cl)c(CN(C(=O)C2CNCCC2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1
InChIInChI=1S/C35H41Cl3N4O3/c1-22-15-31(37)34(32(38)16-22)45-27-10-13-41(21-27)33-8-4-24(18-40-33)28-9-12-39-19-29(28)35(43)42(26-5-6-26)20-25-17-23(11-14-44-2)3-7-30(25)36/h3-4,7-8,15-18,26-29,39H,5-6,9-14,19-21H2,1-2H3/t27-,28?,29?/m0/s1
InChIKeyIZSGQPAFIIQCJJ-VSPYUBNUSA-N
XLogP7.08
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.10
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-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

(3R,4S)-N-[[5-(2-acetamidoethyl)-2-chlorophenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
CID 24742221
N-[[2-chloro-5-[(propanoylamino)methyl]phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
CID 142696477
(3R,4S)-N-[[2-chloro-5-(propylaminomethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
CID 24743415
N-[[2-chloro-5-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]-N-cyclopropyl-4-[6-[(3R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide
CID 142696524
tert-butyl (3R,4S)-3-[[2-chloro-5-[2-(cyclopropylamino)-2-oxoethyl]phenyl]methyl-cyclopropylcarbamoyl]-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-1-carboxylate
CID 67149018
(2R)-2-(aminomethyl)-N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-3-[6-[(3R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]propanamide
CID 24746473
tert-butyl (3R,4S)-3-[[2-chloro-5-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl-cyclopropylcarbamoyl]-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-1-carboxylate
CID 142760511
(1R,2R,3S,5S)-2-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl-cyclopropylcarbamoyl]-3-[4-[(3R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 152750370
(3R,4S)-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-1,3-dicarboxylic acid
CID 90981588
(3R,4S)-N-[[2-chloro-5-[2-(ethylamino)-2-oxoethyl]phenyl]methyl]-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-3-carboxamide
CID 52944247
(1R,2R,3S,5S)-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3-[6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl]-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 67148389
N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-2-cyano-N-cyclopropyl-3-[6-[3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]propanamide
CID 69075316

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide (CID 142696418) is N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide is COCCc1ccc(Cl)c(CN(C(=O)C2CNCCC2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1.
What is the InChIKey of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide?
The InChIKey is IZSGQPAFIIQCJJ-VSPYUBNUSA-N. The full InChI is InChI=1S/C35H41Cl3N4O3/c1-22-15-31(37)34(32(38)16-22)45-27-10-13-41(21-27)33-8-4-24(18-40-33)28-9-12-39-19-29(28)35(43)42(26-5-6-26)20-25-17-23(11-14-44-2)3-7-30(25)36/h3-4,7-8,15-18,26-29,39H,5-6,9-14,19-21H2,1-2H3/t27-,28?,29?/m0/s1.
What are the key properties of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide?
N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide has a molecular weight of 672.10 g/mol, XLogP of 7.08, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 142696418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).