5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide

C17H18ClFN4O — CID 133411832

IUPAC5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCCN(c3ccccc3F)C2)c(Cl)c1
InChIInChI=1S/C17H18ClFN4O/c18-13-8-11(16(20)24)9-21-17(13)22-12-4-3-7-23(10-12)15-6-2-1-5-14(15)19/h1-2,5-6,8-9,12H,3-4,7,10H2,(H2,20,24)(H,21,22)
InChIKeyNJBBKIGKOAFHIZ-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.05
Rot. Bonds4

About 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide

5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 133411832) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID133411832
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCCN(c3ccccc3F)C2)c(Cl)c1
InChIInChI=1S/C17H18ClFN4O/c18-13-8-11(16(20)24)9-21-17(13)22-12-4-3-7-23(10-12)15-6-2-1-5-14(15)19/h1-2,5-6,8-9,12H,3-4,7,10H2,(H2,20,24)(H,21,22)
InChIKeyNJBBKIGKOAFHIZ-UHFFFAOYSA-N
XLogP3.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
CID 133411831
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
CID 133411847
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133411802
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide (CID 133411832) is 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide is NC(=O)c1cnc(NC2CCCN(c3ccccc3F)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is NJBBKIGKOAFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-13-8-11(16(20)24)9-21-17(13)22-12-4-3-7-23(10-12)15-6-2-1-5-14(15)19/h1-2,5-6,8-9,12H,3-4,7,10H2,(H2,20,24)(H,21,22).
What are the key properties of 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133411832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).