[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H22ClN5O — CID 75396529

IUPAC[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCN(Cc1nccn1C)c1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C17H22ClN5O/c1-21-9-6-19-15(21)12-22(2)16-14(18)10-13(11-20-16)17(24)23-7-4-3-5-8-23/h6,9-11H,3-5,7-8,12H2,1-2H3
InChIKeyNTIHXGVEHFFXCX-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.73
Rot. Bonds4

About [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 75396529) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID75396529
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCN(Cc1nccn1C)c1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C17H22ClN5O/c1-21-9-6-19-15(21)12-22(2)16-14(18)10-13(11-20-16)17(24)23-7-4-3-5-8-23/h6,9-11H,3-5,7-8,12H2,1-2H3
InChIKeyNTIHXGVEHFFXCX-UHFFFAOYSA-N
XLogP2.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
CID 122052078
[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270650
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181
[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133385820
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-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63020903
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273355

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 75396529) is [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is CN(Cc1nccn1C)c1ncc(C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is NTIHXGVEHFFXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-21-9-6-19-15(21)12-22(2)16-14(18)10-13(11-20-16)17(24)23-7-4-3-5-8-23/h6,9-11H,3-5,7-8,12H2,1-2H3.
What are the key properties of [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 347.85 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 75396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).