[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate

C17H13Cl2F3N4O2 — CID 1471391

IUPAC[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate
SMILESN#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2F3N4O2/c18-11-1-3-12(4-2-11)26-16(27)28-13(5-6-23)9-25-15-14(19)7-10(8-24-15)17(20,21)22/h1-4,7-8,13H,5,9H2,(H,24,25)(H,26,27)/t13-/m1/s1
InChIKeyNLMYZJUNNPNMCN-CYBMUJFWSA-N
MW433.22 g/mol
LogP5.35
Rot. Bonds6

About [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate

[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate (PubChem CID 1471391) has the molecular formula C17H13Cl2F3N4O2 and a molecular weight of 433.22 g/mol. Its IUPAC name is [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate
PubChem CID1471391
Molecular FormulaC17H13Cl2F3N4O2
Molecular Weight433.22 g/mol
Exact Mass432.04
IUPAC Name[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate
SMILESN#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2F3N4O2/c18-11-1-3-12(4-2-11)26-16(27)28-13(5-6-23)9-25-15-14(19)7-10(8-24-15)17(20,21)22/h1-4,7-8,13H,5,9H2,(H,24,25)(H,26,27)/t13-/m1/s1
InChIKeyNLMYZJUNNPNMCN-CYBMUJFWSA-N
XLogP5.35
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.22
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate 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

[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] furan-2-carboxylate
CID 3717955
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] N-(4-chlorophenyl)carbamate
CID 110208789
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentanoic acid
CID 65224425
(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol
CID 52579767
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 3631017
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 4102499

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate (CID 1471391) is [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate is N#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate?
The InChIKey is NLMYZJUNNPNMCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H13Cl2F3N4O2/c18-11-1-3-12(4-2-11)26-16(27)28-13(5-6-23)9-25-15-14(19)7-10(8-24-15)17(20,21)22/h1-4,7-8,13H,5,9H2,(H,24,25)(H,26,27)/t13-/m1/s1.
What are the key properties of [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate?
[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate has a molecular weight of 433.22 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 1471391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).