N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

C23H29N5O2 — CID 155989763

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2nc(C)n(CC(=O)NCC3(O)CCCN(c4ccccn4)C3)c2cc1C
InChIInChI=1S/C23H29N5O2/c1-16-11-19-20(12-17(16)2)28(18(3)26-19)13-22(29)25-14-23(30)8-6-10-27(15-23)21-7-4-5-9-24-21/h4-5,7,9,11-12,30H,6,8,10,13-15H2,1-3H3,(H,25,29)
InChIKeyHTTUWGRWYNIHCF-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (PubChem CID 155989763) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
PubChem CID155989763
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2nc(C)n(CC(=O)NCC3(O)CCCN(c4ccccn4)C3)c2cc1C
InChIInChI=1S/C23H29N5O2/c1-16-11-19-20(12-17(16)2)28(18(3)26-19)13-22(29)25-14-23(30)8-6-10-27(15-23)21-7-4-5-9-24-21/h4-5,7,9,11-12,30H,6,8,10,13-15H2,1-3H3,(H,25,29)
InChIKeyHTTUWGRWYNIHCF-UHFFFAOYSA-N
XLogP2.50
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 125023156
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110124192
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 155989762
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 125011518
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
CID 155989766
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 155989790
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 125017362

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (CID 155989763) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is Cc1cc2nc(C)n(CC(=O)NCC3(O)CCCN(c4ccccn4)C3)c2cc1C.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The InChIKey is HTTUWGRWYNIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-11-19-20(12-17(16)2)28(18(3)26-19)13-22(29)25-14-23(30)8-6-10-27(15-23)21-7-4-5-9-24-21/h4-5,7,9,11-12,30H,6,8,10,13-15H2,1-3H3,(H,25,29).
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 155989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).