[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C19H21ClFN3O — CID 109175643

IUPAC[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H21ClFN3O/c1-2-15-5-3-4-10-24(15)19(25)13-8-9-22-18(11-13)23-14-6-7-17(21)16(20)12-14/h6-9,11-12,15H,2-5,10H2,1H3,(H,22,23)
InChIKeyDFBVDVREAFZZLB-UHFFFAOYSA-N
MW361.85 g/mol
LogP5.02
Rot. Bonds4

About [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109175643) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109175643
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H21ClFN3O/c1-2-15-5-3-4-10-24(15)19(25)13-8-9-22-18(11-13)23-14-6-7-17(21)16(20)12-14/h6-9,11-12,15H,2-5,10H2,1H3,(H,22,23)
InChIKeyDFBVDVREAFZZLB-UHFFFAOYSA-N
XLogP5.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.85
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175669
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109175655
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864331
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650
[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
N-(2,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090195
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109175643) is [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DFBVDVREAFZZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-2-15-5-3-4-10-24(15)19(25)13-8-9-22-18(11-13)23-14-6-7-17(21)16(20)12-14/h6-9,11-12,15H,2-5,10H2,1H3,(H,22,23).
What are the key properties of [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 361.85 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109175643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).