1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide

C14H20ClFN4O — CID 134697105

IUPAC1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C14H20ClFN4O/c15-11-7-12(16)14(19-8-11)18-4-2-6-20-5-1-3-10(9-20)13(17)21/h7-8,10H,1-6,9H2,(H2,17,21)(H,18,19)
InChIKeyHCSAJOFSDUMSSK-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.87
Rot. Bonds6

About 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide

1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide (PubChem CID 134697105) has the molecular formula C14H20ClFN4O and a molecular weight of 314.79 g/mol. Its IUPAC name is 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
PubChem CID134697105
Molecular FormulaC14H20ClFN4O
Molecular Weight314.79 g/mol
Exact Mass314.13
IUPAC Name1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C14H20ClFN4O/c15-11-7-12(16)14(19-8-11)18-4-2-6-20-5-1-3-10(9-20)13(17)21/h7-8,10H,1-6,9H2,(H2,17,21)(H,18,19)
InChIKeyHCSAJOFSDUMSSK-UHFFFAOYSA-N
XLogP1.87
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 72913557
(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 97143743
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
CID 95155929
(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
CID 94819135
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
CID 131909787

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide (CID 134697105) is 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCCNc2ncc(Cl)cc2F)C1.
What is the InChIKey of 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide?
The InChIKey is HCSAJOFSDUMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN4O/c15-11-7-12(16)14(19-8-11)18-4-2-6-20-5-1-3-10(9-20)13(17)21/h7-8,10H,1-6,9H2,(H2,17,21)(H,18,19).
What are the key properties of 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide?
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 134697105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).