N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C17H17F3N4O — CID 119450033

IUPACN-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NC1CCNC1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)11-3-1-4-12(9-11)23-15-14(5-2-7-22-15)16(25)24-13-6-8-21-10-13/h1-5,7,9,13,21H,6,8,10H2,(H,22,23)(H,24,25)
InChIKeyDXCBCSDDMWTGEL-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.94
Rot. Bonds4

About N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 119450033) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID119450033
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NC1CCNC1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)11-3-1-4-12(9-11)23-15-14(5-2-7-22-15)16(25)24-13-6-8-21-10-13/h1-5,7,9,13,21H,6,8,10H2,(H,22,23)(H,24,25)
InChIKeyDXCBCSDDMWTGEL-UHFFFAOYSA-N
XLogP2.94
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;hydrochloride
CID 119455649
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 86985917
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 66883790
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 55416374
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 119450033) is N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NC1CCNC1)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is DXCBCSDDMWTGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)11-3-1-4-12(9-11)23-15-14(5-2-7-22-15)16(25)24-13-6-8-21-10-13/h1-5,7,9,13,21H,6,8,10H2,(H,22,23)(H,24,25).
What are the key properties of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 119450033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).