(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C17H19ClN4O — CID 95282049

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H19ClN4O/c18-14-6-7-16(20-10-14)21-17(23)13-4-3-9-22(11-13)12-15-5-1-2-8-19-15/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,20,21,23)/t13-/m1/s1
InChIKeyQGVJMQJVKJYPIZ-CYBMUJFWSA-N
MW330.82 g/mol
LogP2.98
Rot. Bonds4

About (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95282049) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID95282049
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H19ClN4O/c18-14-6-7-16(20-10-14)21-17(23)13-4-3-9-22(11-13)12-15-5-1-2-8-19-15/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,20,21,23)/t13-/m1/s1
InChIKeyQGVJMQJVKJYPIZ-CYBMUJFWSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
N-pyridin-2-yl-1-(2H-triazol-4-ylmethyl)piperidine-3-carboxamide
CID 154802595
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 126839287
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 55995549

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 95282049) is (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is QGVJMQJVKJYPIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-6-7-16(20-10-14)21-17(23)13-4-3-9-22(11-13)12-15-5-1-2-8-19-15/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,20,21,23)/t13-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95282049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).