(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide

C20H24ClFN4O — CID 67043196

IUPAC(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cccc(F)n3)c(Cl)cn2)C1
InChIInChI=1S/C20H24ClFN4O/c1-20(2,3)26-9-5-6-13(12-26)19(27)25-18-10-14(15(21)11-23-18)16-7-4-8-17(22)24-16/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3,(H,23,25,27)/t13-/m1/s1
InChIKeyUWWCGWAUHGXYSR-CYBMUJFWSA-N
MW390.89 g/mol
LogP4.39
Rot. Bonds3

About (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide

(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 67043196) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID67043196
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cccc(F)n3)c(Cl)cn2)C1
InChIInChI=1S/C20H24ClFN4O/c1-20(2,3)26-9-5-6-13(12-26)19(27)25-18-10-14(15(21)11-23-18)16-7-4-8-17(22)24-16/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3,(H,23,25,27)/t13-/m1/s1
InChIKeyUWWCGWAUHGXYSR-CYBMUJFWSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 141418264
tert-butyl (3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043985
tert-butyl N-[3-[2-[[(3R)-1-tert-butylpiperidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]phenyl]-N-(oxan-4-ylmethyl)carbamate
CID 67033539
tert-butyl 3-[[5-chloro-4-(2-ethyl-3-fluorophenyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 123166458
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821
[4-[[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]amino]cyclohexyl]methylcarbamic acid
CID 67802623
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 77242911
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 67033659
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 77401595
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide
CID 67033474

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide (CID 67043196) is (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide is CC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cccc(F)n3)c(Cl)cn2)C1.
What is the InChIKey of (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is UWWCGWAUHGXYSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c1-20(2,3)26-9-5-6-13(12-26)19(27)25-18-10-14(15(21)11-23-18)16-7-4-8-17(22)24-16/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3,(H,23,25,27)/t13-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 390.89 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 67043196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).