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

C20H22ClFN4O2 — CID 56525461

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
SMILESO=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccccc1F
InChIInChI=1S/C20H22ClFN4O2/c21-15-7-8-18(23-12-15)25-20(28)14-4-3-10-26(13-14)11-9-19(27)24-17-6-2-1-5-16(17)22/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27)(H,23,25,28)
InChIKeyZXBMZAUJWJIJKX-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.55
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide (PubChem CID 56525461) 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-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
PubChem CID56525461
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
SMILESO=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccccc1F
InChIInChI=1S/C20H22ClFN4O2/c21-15-7-8-18(23-12-15)25-20(28)14-4-3-10-26(13-14)11-9-19(27)24-17-6-2-1-5-16(17)22/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27)(H,23,25,28)
InChIKeyZXBMZAUJWJIJKX-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

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-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 55995289
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
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525544
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
N-(5-chloro-2-pyridinyl)-1-[(4-sulfanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidine-3-carboxamide
CID 55861104

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide (CID 56525461) is N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide is O=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccccc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide?
The InChIKey is ZXBMZAUJWJIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-15-7-8-18(23-12-15)25-20(28)14-4-3-10-26(13-14)11-9-19(27)24-17-6-2-1-5-16(17)22/h1-2,5-8,12,14H,3-4,9-11,13H2,(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-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-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-3-carboxamide is sourced from PubChem (CID 56525461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).