N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C30H28F10N6O — CID 167313473

IUPACN-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1c(N2CCC(F)(F)CC2)nc(C(F)(F)F)c(C2CC2)c1NC(=O)c1cc(C2CC2)c(C(F)(F)F)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C30H28F10N6O/c31-27(32)5-9-45(10-6-27)24-18(13-17(15-1-2-15)22(43-24)29(35,36)37)26(47)42-21-19(14-41)25(46-11-7-28(33,34)8-12-46)44-23(30(38,39)40)20(21)16-3-4-16/h13,15-16H,1-12H2,(H,42,44,47)
InChIKeyXZQNPFSOUQNBBR-UHFFFAOYSA-N
MW678.57 g/mol
LogP7.86
Rot. Bonds6

About N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167313473) has the molecular formula C30H28F10N6O and a molecular weight of 678.57 g/mol. Its IUPAC name is N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167313473
Molecular FormulaC30H28F10N6O
Molecular Weight678.57 g/mol
Exact Mass678.22
IUPAC NameN-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1c(N2CCC(F)(F)CC2)nc(C(F)(F)F)c(C2CC2)c1NC(=O)c1cc(C2CC2)c(C(F)(F)F)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C30H28F10N6O/c31-27(32)5-9-45(10-6-27)24-18(13-17(15-1-2-15)22(43-24)29(35,36)37)26(47)42-21-19(14-41)25(46-11-7-28(33,34)8-12-46)44-23(30(38,39)40)20(21)16-3-4-16/h13,15-16H,1-12H2,(H,42,44,47)
InChIKeyXZQNPFSOUQNBBR-UHFFFAOYSA-N
XLogP7.86
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.57
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)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

carbamoyl 4-[[5-cyano-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfonate
CID 175605949
5-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169124049
strontium;carbanide;5-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169123983
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
CID 176693893
N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525725
2-[[2-(4,4-difluoroazepan-1-yl)-7-fluoroquinoline-3-carbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 169264144
5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146525962
2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525696
methyl 6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 146525996
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992682
2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428958
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-cyclopropyl-3-(4,4-difluoropiperidin-1-yl)phenyl]-4-iodobenzamide
CID 170179125

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167313473) is N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is N#Cc1c(N2CCC(F)(F)CC2)nc(C(F)(F)F)c(C2CC2)c1NC(=O)c1cc(C2CC2)c(C(F)(F)F)nc1N1CCC(F)(F)CC1.
What is the InChIKey of N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XZQNPFSOUQNBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F10N6O/c31-27(32)5-9-45(10-6-27)24-18(13-17(15-1-2-15)22(43-24)29(35,36)37)26(47)42-21-19(14-41)25(46-11-7-28(33,34)8-12-46)44-23(30(38,39)40)20(21)16-3-4-16/h13,15-16H,1-12H2,(H,42,44,47).
What are the key properties of N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 678.57 g/mol, XLogP of 7.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167313473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).