N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide

C22H26FN5O2 — CID 155989847

IUPACN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)NCC1(O)CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C22H26FN5O2/c1-16-26-18-5-2-3-6-19(18)28(16)12-9-21(29)25-14-22(30)10-4-11-27(15-22)20-8-7-17(23)13-24-20/h2-3,5-8,13,30H,4,9-12,14-15H2,1H3,(H,25,29)
InChIKeyOOYQAMGTEDJOGG-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.42
Rot. Bonds6

About N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide

N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 155989847) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID155989847
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)NCC1(O)CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C22H26FN5O2/c1-16-26-18-5-2-3-6-19(18)28(16)12-9-21(29)25-14-22(30)10-4-11-27(15-22)20-8-7-17(23)13-24-20/h2-3,5-8,13,30H,4,9-12,14-15H2,1H3,(H,25,29)
InChIKeyOOYQAMGTEDJOGG-UHFFFAOYSA-N
XLogP2.42
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
CID 155989842
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 155989790
3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
CID 124950829
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
CID 155989766
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
3-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]propanamide
CID 155989841
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
CID 124983310
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 155989763
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide (CID 155989847) is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide is Cc1nc2ccccc2n1CCC(=O)NCC1(O)CCCN(c2ccc(F)cn2)C1.
What is the InChIKey of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is OOYQAMGTEDJOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-16-26-18-5-2-3-6-19(18)28(16)12-9-21(29)25-14-22(30)10-4-11-27(15-22)20-8-7-17(23)13-24-20/h2-3,5-8,13,30H,4,9-12,14-15H2,1H3,(H,25,29).
What are the key properties of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 411.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 155989847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).