N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide

C20H23N5O2 — CID 155987447

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCC3(O)CCCN(c4ccccn4)C3)cc2[nH]1
InChIInChI=1S/C20H23N5O2/c1-14-23-16-7-6-15(11-17(16)24-14)19(26)22-12-20(27)8-4-10-25(13-20)18-5-2-3-9-21-18/h2-3,5-7,9,11,27H,4,8,10,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyHUUCEXDOIQSCCM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.03
Rot. Bonds4

About N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 155987447) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID155987447
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCC3(O)CCCN(c4ccccn4)C3)cc2[nH]1
InChIInChI=1S/C20H23N5O2/c1-14-23-16-7-6-15(11-17(16)24-14)19(26)22-12-20(27)8-4-10-25(13-20)18-5-2-3-9-21-18/h2-3,5-7,9,11,27H,4,8,10,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyHUUCEXDOIQSCCM-UHFFFAOYSA-N
XLogP2.03
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 155989762
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-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 125017362
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 110124043
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 155989763
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988775
2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
CID 74242211
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
CID 124996932
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 155987447) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCC3(O)CCCN(c4ccccn4)C3)cc2[nH]1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is HUUCEXDOIQSCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-23-16-7-6-15(11-17(16)24-14)19(26)22-12-20(27)8-4-10-25(13-20)18-5-2-3-9-21-18/h2-3,5-7,9,11,27H,4,8,10,12-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 155987447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).