N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide

C18H19FN4O2 — CID 119844811

IUPACN-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1NC(=O)C1CCCNC1)c1ccccn1
InChIInChI=1S/C18H19FN4O2/c19-13-6-7-14(22-18(25)15-5-1-2-9-21-15)16(10-13)23-17(24)12-4-3-8-20-11-12/h1-2,5-7,9-10,12,20H,3-4,8,11H2,(H,22,25)(H,23,24)
InChIKeyUEMSLIWLLRPUTE-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.41
Rot. Bonds4

About N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide

N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide (PubChem CID 119844811) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide
PubChem CID119844811
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1NC(=O)C1CCCNC1)c1ccccn1
InChIInChI=1S/C18H19FN4O2/c19-13-6-7-14(22-18(25)15-5-1-2-9-21-15)16(10-13)23-17(24)12-4-3-8-20-11-12/h1-2,5-7,9-10,12,20H,3-4,8,11H2,(H,22,25)(H,23,24)
InChIKeyUEMSLIWLLRPUTE-UHFFFAOYSA-N
XLogP2.41
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
(3S)-N-(2,3,5-trifluorophenyl)piperidine-3-carboxamide
CID 81139845
N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
CID 55834013
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide (CID 119844811) is N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1NC(=O)C1CCCNC1)c1ccccn1.
What is the InChIKey of N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is UEMSLIWLLRPUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-13-6-7-14(22-18(25)15-5-1-2-9-21-15)16(10-13)23-17(24)12-4-3-8-20-11-12/h1-2,5-7,9-10,12,20H,3-4,8,11H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 119844811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).