3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide

C23H30N6O2 — CID 5279710

IUPAC3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCC(N)=O)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-4-3-5-19-22(15)27-23(29(19)14-18-20(30)7-6-16(2)25-18)26-17-8-11-28(12-9-17)13-10-21(24)31/h3-7,17,30H,8-14H2,1-2H3,(H2,24,31)(H,26,27)
InChIKeyPIKOEUWGSVTIKC-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.55
Rot. Bonds7

About 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide

3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide (PubChem CID 5279710) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide
PubChem CID5279710
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCC(N)=O)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-4-3-5-19-22(15)27-23(29(19)14-18-20(30)7-6-16(2)25-18)26-17-8-11-28(12-9-17)13-10-21(24)31/h3-7,17,30H,8-14H2,1-2H3,(H2,24,31)(H,26,27)
InChIKeyPIKOEUWGSVTIKC-UHFFFAOYSA-N
XLogP2.55
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Tmc-353121
CID 11249932
Jnj-2408068
CID 511013
2-[[2-[[1-(2-Aminoethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 511012
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 11168530
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2-[[6-[(3,5-Dimethylanilino)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799465
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799467
4-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]butanamide
CID 24801203
2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
3-[[1-[(3-Hydroxy-6-methyl-2-pyridyl)methyl]-4,6-dimethyl-benzimidazol-2-yl]amino]propane-1,2-diol
CID 5279660
2-[2-(3-Hydroxypropylamino)-4,6-dimethyl-benzoimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol
CID 5279663
6-Methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279701

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide (CID 5279710) is 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide is Cc1ccc(O)c(Cn2c(NC3CCN(CCC(N)=O)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide?
The InChIKey is PIKOEUWGSVTIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-4-3-5-19-22(15)27-23(29(19)14-18-20(30)7-6-16(2)25-18)26-17-8-11-28(12-9-17)13-10-21(24)31/h3-7,17,30H,8-14H2,1-2H3,(H2,24,31)(H,26,27).
What are the key properties of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide?
3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 5279710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).