5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C29H30ClF3N6O3 — CID 166635433

IUPAC5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(-c2ccc(C(=O)N[C@H]3CN[C@@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)cc2)c1
InChIInChI=1S/C29H30ClF3N6O3/c1-39(2)10-9-35-26(40)20-11-19(14-34-15-20)17-3-5-18(6-4-17)27(41)38-22-13-25(36-16-22)28(42)37-21-7-8-24(30)23(12-21)29(31,32)33/h3-8,11-12,14-15,22,25,36H,9-10,13,16H2,1-2H3,(H,35,40)(H,37,42)(H,38,41)/t22-,25-/m1/s1
InChIKeyDNUYXQOCPGQTOJ-RCZVLFRGSA-N
MW603.05 g/mol
LogP3.81
Rot. Bonds9

About 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 166635433) has the molecular formula C29H30ClF3N6O3 and a molecular weight of 603.05 g/mol. Its IUPAC name is 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID166635433
Molecular FormulaC29H30ClF3N6O3
Molecular Weight603.05 g/mol
Exact Mass602.20
IUPAC Name5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(-c2ccc(C(=O)N[C@H]3CN[C@@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)cc2)c1
InChIInChI=1S/C29H30ClF3N6O3/c1-39(2)10-9-35-26(40)20-11-19(14-34-15-20)17-3-5-18(6-4-17)27(41)38-22-13-25(36-16-22)28(42)37-21-7-8-24(30)23(12-21)29(31,32)33/h3-8,11-12,14-15,22,25,36H,9-10,13,16H2,1-2H3,(H,35,40)(H,37,42)(H,38,41)/t22-,25-/m1/s1
InChIKeyDNUYXQOCPGQTOJ-RCZVLFRGSA-N
XLogP3.81
TPSA115.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.05
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-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

N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
5-[3-[[(2S)-1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]carbamoyl]phenyl]-N-cyclopropylpyridine-3-carboxamide
CID 166635904
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
CID 109222936
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238984
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083
5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117088284
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
5-[3-[[(2S)-1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]carbamoyl]phenyl]-N,N-diethylpyridine-3-carboxamide
CID 166627297
5-[4-[4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 122394904
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 166635433) is 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(-c2ccc(C(=O)N[C@H]3CN[C@@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)cc2)c1.
What is the InChIKey of 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is DNUYXQOCPGQTOJ-RCZVLFRGSA-N. The full InChI is InChI=1S/C29H30ClF3N6O3/c1-39(2)10-9-35-26(40)20-11-19(14-34-15-20)17-3-5-18(6-4-17)27(41)38-22-13-25(36-16-22)28(42)37-21-7-8-24(30)23(12-21)29(31,32)33/h3-8,11-12,14-15,22,25,36H,9-10,13,16H2,1-2H3,(H,35,40)(H,37,42)(H,38,41)/t22-,25-/m1/s1.
What are the key properties of 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 603.05 g/mol, XLogP of 3.81, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3R,5R)-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166635433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).