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

C31H45N5O2 — CID 66588312

IUPACN,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc2c(cn1)nc(Cc1ccc(OC)cc1)n2CCCN1CCCCC1
InChIInChI=1S/C31H45N5O2/c1-4-6-19-35(20-7-5-2)31(37)27-23-29-28(24-32-27)33-30(22-25-12-14-26(38-3)15-13-25)36(29)21-11-18-34-16-9-8-10-17-34/h12-15,23-24H,4-11,16-22H2,1-3H3
InChIKeyYTJOMWLWFIGLNJ-UHFFFAOYSA-N
MW519.73 g/mol
LogP5.95
Rot. Bonds14

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

N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 66588312) has the molecular formula C31H45N5O2 and a molecular weight of 519.73 g/mol. Its IUPAC name is N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID66588312
Molecular FormulaC31H45N5O2
Molecular Weight519.73 g/mol
Exact Mass519.36
IUPAC NameN,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc2c(cn1)nc(Cc1ccc(OC)cc1)n2CCCN1CCCCC1
InChIInChI=1S/C31H45N5O2/c1-4-6-19-35(20-7-5-2)31(37)27-23-29-28(24-32-27)33-30(22-25-12-14-26(38-3)15-13-25)36(29)21-11-18-34-16-9-8-10-17-34/h12-15,23-24H,4-11,16-22H2,1-3H3
InChIKeyYTJOMWLWFIGLNJ-UHFFFAOYSA-N
XLogP5.95
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 55.95
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)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (CID 66588312) is N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is CCCCN(CCCC)C(=O)c1cc2c(cn1)nc(Cc1ccc(OC)cc1)n2CCCN1CCCCC1.
What is the InChIKey of N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is YTJOMWLWFIGLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N5O2/c1-4-6-19-35(20-7-5-2)31(37)27-23-29-28(24-32-27)33-30(22-25-12-14-26(38-3)15-13-25)36(29)21-11-18-34-16-9-8-10-17-34/h12-15,23-24H,4-11,16-22H2,1-3H3.
What are the key properties of N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
N,N-dibutyl-2-[(4-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 519.73 g/mol, XLogP of 5.95, 14 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)methyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 66588312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).