N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide

C30H43N5O2 — CID 56599930

IUPACN,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc2c(cn1)nc(-c1ccc(OC)cc1)n2CCCN1CCCCC1
InChIInChI=1S/C30H43N5O2/c1-4-6-19-34(20-7-5-2)30(36)26-22-28-27(23-31-26)32-29(24-12-14-25(37-3)15-13-24)35(28)21-11-18-33-16-9-8-10-17-33/h12-15,22-23H,4-11,16-21H2,1-3H3
InChIKeyHMLAQJXFABWLCY-UHFFFAOYSA-N
MW505.71 g/mol
LogP6.03
Rot. Bonds13

About N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide

N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 56599930) has the molecular formula C30H43N5O2 and a molecular weight of 505.71 g/mol. Its IUPAC name is N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID56599930
Molecular FormulaC30H43N5O2
Molecular Weight505.71 g/mol
Exact Mass505.34
IUPAC NameN,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc2c(cn1)nc(-c1ccc(OC)cc1)n2CCCN1CCCCC1
InChIInChI=1S/C30H43N5O2/c1-4-6-19-34(20-7-5-2)30(36)26-22-28-27(23-31-26)32-29(24-12-14-25(37-3)15-13-24)35(28)21-11-18-33-16-9-8-10-17-33/h12-15,22-23H,4-11,16-21H2,1-3H3
InChIKeyHMLAQJXFABWLCY-UHFFFAOYSA-N
XLogP6.03
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.71
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (CID 56599930) is N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is CCCCN(CCCC)C(=O)c1cc2c(cn1)nc(-c1ccc(OC)cc1)n2CCCN1CCCCC1.
What is the InChIKey of N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is HMLAQJXFABWLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O2/c1-4-6-19-34(20-7-5-2)30(36)26-22-28-27(23-31-26)32-29(24-12-14-25(37-3)15-13-24)35(28)21-11-18-33-16-9-8-10-17-33/h12-15,22-23H,4-11,16-21H2,1-3H3.
What are the key properties of N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 505.71 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 56599930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).