[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C21H24ClN3O — CID 133270998

IUPAC[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C21H24ClN3O/c22-19-12-18(21(26)25-9-2-1-3-10-25)14-24-20(19)23-13-15-7-8-16-5-4-6-17(16)11-15/h7-8,11-12,14H,1-6,9-10,13H2,(H,23,24)
InChIKeyMCBUEZQYXKCORM-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.46
Rot. Bonds4

About [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270998) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270998
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C21H24ClN3O/c22-19-12-18(21(26)25-9-2-1-3-10-25)14-24-20(19)23-13-15-7-8-16-5-4-6-17(16)11-15/h7-8,11-12,14H,1-6,9-10,13H2,(H,23,24)
InChIKeyMCBUEZQYXKCORM-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
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-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271107
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133271009
[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271056
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270998) is [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MCBUEZQYXKCORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-19-12-18(21(26)25-9-2-1-3-10-25)14-24-20(19)23-13-15-7-8-16-5-4-6-17(16)11-15/h7-8,11-12,14H,1-6,9-10,13H2,(H,23,24).
What are the key properties of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 369.90 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).