[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C18H21ClN4O — CID 138999377

IUPAC[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(Nc1ncc(C(=O)N2CCCCC2)cc1Cl)c1ccccn1
InChIInChI=1S/C18H21ClN4O/c1-13(16-7-3-4-8-20-16)22-17-15(19)11-14(12-21-17)18(24)23-9-5-2-6-10-23/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,21,22)
InChIKeyKWTRWAYQXUCPJD-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.93
Rot. Bonds4

About [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 138999377) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID138999377
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(Nc1ncc(C(=O)N2CCCCC2)cc1Cl)c1ccccn1
InChIInChI=1S/C18H21ClN4O/c1-13(16-7-3-4-8-20-16)22-17-15(19)11-14(12-21-17)18(24)23-9-5-2-6-10-23/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,21,22)
InChIKeyKWTRWAYQXUCPJD-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 123632803
[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 74767836
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
azepan-1-yl-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124562
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
azetidin-1-yl-[3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]phenyl]methanone
CID 95044302

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 138999377) is [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is CC(Nc1ncc(C(=O)N2CCCCC2)cc1Cl)c1ccccn1.
What is the InChIKey of [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is KWTRWAYQXUCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13(16-7-3-4-8-20-16)22-17-15(19)11-14(12-21-17)18(24)23-9-5-2-6-10-23/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,21,22).
What are the key properties of [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 344.85 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 138999377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).