1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C20H21Cl2FN4O2 — CID 56525502

IUPAC1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H21Cl2FN4O2/c21-14-3-5-17(16(23)10-14)25-19(28)7-9-27-8-1-2-13(12-27)20(29)26-18-6-4-15(22)11-24-18/h3-6,10-11,13H,1-2,7-9,12H2,(H,25,28)(H,24,26,29)
InChIKeySJWCZXXCSMDJLF-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.21
Rot. Bonds6

About 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 56525502) has the molecular formula C20H21Cl2FN4O2 and a molecular weight of 439.32 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID56525502
Molecular FormulaC20H21Cl2FN4O2
Molecular Weight439.32 g/mol
Exact Mass438.10
IUPAC Name1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H21Cl2FN4O2/c21-14-3-5-17(16(23)10-14)25-19(28)7-9-27-8-1-2-13(12-27)20(29)26-18-6-4-15(22)11-24-18/h3-6,10-11,13H,1-2,7-9,12H2,(H,25,28)(H,24,26,29)
InChIKeySJWCZXXCSMDJLF-UHFFFAOYSA-N
XLogP4.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 55995289
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525544
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 100858130
N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 18133462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 56525502) is 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is O=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccc(Cl)cc1F.
What is the InChIKey of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is SJWCZXXCSMDJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN4O2/c21-14-3-5-17(16(23)10-14)25-19(28)7-9-27-8-1-2-13(12-27)20(29)26-18-6-4-15(22)11-24-18/h3-6,10-11,13H,1-2,7-9,12H2,(H,25,28)(H,24,26,29).
What are the key properties of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 439.32 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 56525502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).