(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C18H21ClN4O — CID 95339286

IUPAC(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(CCc2ccccn2)C1
InChIInChI=1S/C18H21ClN4O/c19-15-6-7-17(21-12-15)22-18(24)14-4-3-10-23(13-14)11-8-16-5-1-2-9-20-16/h1-2,5-7,9,12,14H,3-4,8,10-11,13H2,(H,21,22,24)/t14-/m0/s1
InChIKeyKFZDEBYQUPRQAE-AWEZNQCLSA-N
MW344.85 g/mol
LogP3.02
Rot. Bonds5

About (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 95339286) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID95339286
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(CCc2ccccn2)C1
InChIInChI=1S/C18H21ClN4O/c19-15-6-7-17(21-12-15)22-18(24)14-4-3-10-23(13-14)11-8-16-5-1-2-9-20-16/h1-2,5-7,9,12,14H,3-4,8,10-11,13H2,(H,21,22,24)/t14-/m0/s1
InChIKeyKFZDEBYQUPRQAE-AWEZNQCLSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
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-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 55995289
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(5-chloro-2-pyridinyl)-1-[(4-sulfanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidine-3-carboxamide
CID 55861104
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
CID 55860839
N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 55994770
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 95339286) is (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(CCc2ccccn2)C1.
What is the InChIKey of (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is KFZDEBYQUPRQAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-6-7-17(21-12-15)22-18(24)14-4-3-10-23(13-14)11-8-16-5-1-2-9-20-16/h1-2,5-7,9,12,14H,3-4,8,10-11,13H2,(H,21,22,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95339286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).