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

C20H21ClF2N4O2 — CID 56525544

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21ClF2N4O2/c21-14-1-4-18(24-12-14)26-20(29)13-5-8-27(9-6-13)10-7-19(28)25-15-2-3-16(22)17(23)11-15/h1-4,11-13H,5-10H2,(H,25,28)(H,24,26,29)
InChIKeyVXSVAVHXLKMKEB-UHFFFAOYSA-N
MW422.86 g/mol
LogP3.69
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 56525544) has the molecular formula C20H21ClF2N4O2 and a molecular weight of 422.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID56525544
Molecular FormulaC20H21ClF2N4O2
Molecular Weight422.86 g/mol
Exact Mass422.13
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21ClF2N4O2/c21-14-1-4-18(24-12-14)26-20(29)13-5-8-27(9-6-13)10-7-19(28)25-15-2-3-16(22)17(23)11-15/h1-4,11-13H,5-10H2,(H,25,28)(H,24,26,29)
InChIKeyVXSVAVHXLKMKEB-UHFFFAOYSA-N
XLogP3.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 55855975
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
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-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-(5-bromo-2-pyridinyl)-1-[3-(4-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 55922044

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 56525544) is N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide is O=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is VXSVAVHXLKMKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O2/c21-14-1-4-18(24-12-14)26-20(29)13-5-8-27(9-6-13)10-7-19(28)25-15-2-3-16(22)17(23)11-15/h1-4,11-13H,5-10H2,(H,25,28)(H,24,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 422.86 g/mol, XLogP of 3.69, 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-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 56525544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).