[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C22H26ClN5O — CID 133346754

IUPAC[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1c(CCCNc2ncc(C(=O)N3CCCCC3)cc2Cl)nc2ccccc21
InChIInChI=1S/C22H26ClN5O/c1-27-19-9-4-3-8-18(19)26-20(27)10-7-11-24-21-17(23)14-16(15-25-21)22(29)28-12-5-2-6-13-28/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,24,25)
InChIKeyTWVDUKRZCIJQOY-UHFFFAOYSA-N
MW411.94 g/mol
LogP4.29
Rot. Bonds6

About [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133346754) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133346754
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1c(CCCNc2ncc(C(=O)N3CCCCC3)cc2Cl)nc2ccccc21
InChIInChI=1S/C22H26ClN5O/c1-27-19-9-4-3-8-18(19)26-20(27)10-7-11-24-21-17(23)14-16(15-25-21)22(29)28-12-5-2-6-13-28/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,24,25)
InChIKeyTWVDUKRZCIJQOY-UHFFFAOYSA-N
XLogP4.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
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-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270752
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
CID 56555861
N-[2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 60561707
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377
[5-chloro-6-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585111
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133346754) is [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone is Cn1c(CCCNc2ncc(C(=O)N3CCCCC3)cc2Cl)nc2ccccc21.
What is the InChIKey of [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is TWVDUKRZCIJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-27-19-9-4-3-8-18(19)26-20(27)10-7-11-24-21-17(23)14-16(15-25-21)22(29)28-12-5-2-6-13-28/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,24,25).
What are the key properties of [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 411.94 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133346754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).