N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C22H24F3N3O — CID 11750036

IUPACN-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCC1CCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1
InChIInChI=1S/C22H24F3N3O/c23-22(24,25)16-6-3-7-17(10-16)28-20-11-18(15-8-9-15)19(13-26-20)21(29)27-12-14-4-1-2-5-14/h3,6-7,10-11,13-15H,1-2,4-5,8-9,12H2,(H,26,28)(H,27,29)
InChIKeySERMUCGIQPZFPT-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.64
Rot. Bonds6

About N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 11750036) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID11750036
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCC1CCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1
InChIInChI=1S/C22H24F3N3O/c23-22(24,25)16-6-3-7-17(10-16)28-20-11-18(15-8-9-15)19(13-26-20)21(29)27-12-14-4-1-2-5-14/h3,6-7,10-11,13-15H,1-2,4-5,8-9,12H2,(H,26,28)(H,27,29)
InChIKeySERMUCGIQPZFPT-UHFFFAOYSA-N
XLogP5.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11233590
6-(3-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11164693
6-anilino-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354686
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
6-(3-chloroanilino)-4-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 11339145
6-(4-chloro-2-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11187954
6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 59843539
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 166247033
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
CID 142877788
N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354655

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 11750036) is N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCC1CCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1.
What is the InChIKey of N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is SERMUCGIQPZFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c23-22(24,25)16-6-3-7-17(10-16)28-20-11-18(15-8-9-15)19(13-26-20)21(29)27-12-14-4-1-2-5-14/h3,6-7,10-11,13-15H,1-2,4-5,8-9,12H2,(H,26,28)(H,27,29).
What are the key properties of N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 11750036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).