N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide

C29H42N6O — CID 59695492

IUPACN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C29H42N6O/c1-3-5-19-34(20-6-4-2)28(36)24-13-14-26-27(22-24)35(21-11-18-33-16-8-7-9-17-33)29(32-26)31-25-12-10-15-30-23-25/h10,12-15,22-23H,3-9,11,16-21H2,1-2H3,(H,31,32)
InChIKeyCNZCZCYHKHYETC-UHFFFAOYSA-N
MW490.70 g/mol
LogP6.09
Rot. Bonds13

About N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide (PubChem CID 59695492) has the molecular formula C29H42N6O and a molecular weight of 490.70 g/mol. Its IUPAC name is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide
PubChem CID59695492
Molecular FormulaC29H42N6O
Molecular Weight490.70 g/mol
Exact Mass490.34
IUPAC NameN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C29H42N6O/c1-3-5-19-34(20-6-4-2)28(36)24-13-14-26-27(22-24)35(21-11-18-33-16-8-7-9-17-33)29(32-26)31-25-12-10-15-30-23-25/h10,12-15,22-23H,3-9,11,16-21H2,1-2H3,(H,31,32)
InChIKeyCNZCZCYHKHYETC-UHFFFAOYSA-N
XLogP6.09
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.70
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dibutyl-2-[4-(methylsulfamoyl)anilino]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695186
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
CID 58770936
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide
CID 58771123
N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
CID 56599525
N,N-bis(3-methylbutyl)-2-(4-piperidin-1-ylanilino)-3-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 163839893
4-[[6-(dibutylcarbamoyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridin-2-yl]amino]phenolate
CID 163816158
N,N-dibutyl-2-(4-chlorophenyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770998
N,N-dibutyl-2-[4-(dimethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770907
2-(4-cyanoanilino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695496
N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770884
N,N-bis(3-methylbutyl)-2-[4-(1,3-oxazol-5-yl)anilino]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695210
2-[4-(methoxycarbamoylamino)anilino]-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695299

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide (CID 59695492) is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide?
The InChIKey is CNZCZCYHKHYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O/c1-3-5-19-34(20-6-4-2)28(36)24-13-14-26-27(22-24)35(21-11-18-33-16-8-7-9-17-33)29(32-26)31-25-12-10-15-30-23-25/h10,12-15,22-23H,3-9,11,16-21H2,1-2H3,(H,31,32).
What are the key properties of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide?
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide has a molecular weight of 490.70 g/mol, XLogP of 6.09, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 59695492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).