[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C19H24ClN3O3 — CID 133353084

IUPAC[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(C)(O)CNc2ncc(C(=O)N3CCCCC3)cc2Cl)o1
InChIInChI=1S/C19H24ClN3O3/c1-13-6-7-16(26-13)19(2,25)12-22-17-15(20)10-14(11-21-17)18(24)23-8-4-3-5-9-23/h6-7,10-11,25H,3-5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyHKLRAVACMQINFL-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.58
Rot. Bonds5

About [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133353084) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133353084
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(C)(O)CNc2ncc(C(=O)N3CCCCC3)cc2Cl)o1
InChIInChI=1S/C19H24ClN3O3/c1-13-6-7-16(26-13)19(2,25)12-22-17-15(20)10-14(11-21-17)18(24)23-8-4-3-5-9-23/h6-7,10-11,25H,3-5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyHKLRAVACMQINFL-UHFFFAOYSA-N
XLogP3.58
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxamide
CID 133353158
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-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270752
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
[5-chloro-6-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133399112
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133353084) is [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1ccc(C(C)(O)CNc2ncc(C(=O)N3CCCCC3)cc2Cl)o1.
What is the InChIKey of [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is HKLRAVACMQINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-13-6-7-16(26-13)19(2,25)12-22-17-15(20)10-14(11-21-17)18(24)23-8-4-3-5-9-23/h6-7,10-11,25H,3-5,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 377.87 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).