4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine

C27H36FN3O — CID 143086604

IUPAC4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine
SMILESC=C(NCC1CCCOCC1)c1cnc(Nc2ccc(F)c(CC)c2)cc1C1CCCC1
InChIInChI=1S/C27H36FN3O/c1-3-21-15-23(10-11-26(21)28)31-27-16-24(22-8-4-5-9-22)25(18-30-27)19(2)29-17-20-7-6-13-32-14-12-20/h10-11,15-16,18,20,22,29H,2-9,12-14,17H2,1H3,(H,30,31)
InChIKeyOYLLIFYTLORGDW-UHFFFAOYSA-N
MW437.60 g/mol
LogP6.56
Rot. Bonds8

About 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine

4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine (PubChem CID 143086604) has the molecular formula C27H36FN3O and a molecular weight of 437.60 g/mol. Its IUPAC name is 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine
PubChem CID143086604
Molecular FormulaC27H36FN3O
Molecular Weight437.60 g/mol
Exact Mass437.28
IUPAC Name4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine
SMILESC=C(NCC1CCCOCC1)c1cnc(Nc2ccc(F)c(CC)c2)cc1C1CCCC1
InChIInChI=1S/C27H36FN3O/c1-3-21-15-23(10-11-26(21)28)31-27-16-24(22-8-4-5-9-22)25(18-30-27)19(2)29-17-20-7-6-13-32-14-12-20/h10-11,15-16,18,20,22,29H,2-9,12-14,17H2,1H3,(H,30,31)
InChIKeyOYLLIFYTLORGDW-UHFFFAOYSA-N
XLogP6.56
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.60
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine with MolForge

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11164693
6-(4-fluoro-3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731720
6-(4-bromo-2-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843503
6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11233590
6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
CID 142877788
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
6-(4-chloro-2-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11187954
6-[2-bromo-4-(trifluoromethoxy)anilino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843529
6-(3-chloro-4-cyanoanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570015
6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 59843539
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine?
The IUPAC name of 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine (CID 143086604) is 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine is C=C(NCC1CCCOCC1)c1cnc(Nc2ccc(F)c(CC)c2)cc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine?
The InChIKey is OYLLIFYTLORGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O/c1-3-21-15-23(10-11-26(21)28)31-27-16-24(22-8-4-5-9-22)25(18-30-27)19(2)29-17-20-7-6-13-32-14-12-20/h10-11,15-16,18,20,22,29H,2-9,12-14,17H2,1H3,(H,30,31).
What are the key properties of 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine?
4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine has a molecular weight of 437.60 g/mol, XLogP of 6.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine is sourced from PubChem (CID 143086604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).