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

C20H22ClFN4O2 — CID 56525471

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H22ClFN4O2/c21-15-5-6-18(23-13-15)25-20(28)14-7-10-26(11-8-14)12-9-19(27)24-17-4-2-1-3-16(17)22/h1-6,13-14H,7-12H2,(H,24,27)(H,23,25,28)
InChIKeyWQSCINAWBRHEMS-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.55
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 56525471) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID56525471
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H22ClFN4O2/c21-15-5-6-18(23-13-15)25-20(28)14-7-10-26(11-8-14)12-9-19(27)24-17-4-2-1-3-16(17)22/h1-6,13-14H,7-12H2,(H,24,27)(H,23,25,28)
InChIKeyWQSCINAWBRHEMS-UHFFFAOYSA-N
XLogP3.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.55
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-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525544
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide
CID 56525511
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 55855975
N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525559
N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 55995289
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
N-(5-chloro-2-pyridinyl)-1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 55816126

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 56525471) is N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide is O=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is WQSCINAWBRHEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-15-5-6-18(23-13-15)25-20(28)14-7-10-26(11-8-14)12-9-19(27)24-17-4-2-1-3-16(17)22/h1-6,13-14H,7-12H2,(H,24,27)(H,23,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 404.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 56525471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).