N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide

C31H46N6O2 — CID 56601315

IUPACN,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccc(OC)cc3)n(CCCN3CCCCC3C)c2n1
InChIInChI=1S/C31H46N6O2/c1-5-7-19-36(20-8-6-2)30(38)28-18-17-27-29(33-28)37(23-11-22-35-21-10-9-12-24(35)3)31(34-27)32-25-13-15-26(39-4)16-14-25/h13-18,24H,5-12,19-23H2,1-4H3,(H,32,34)
InChIKeySFQQUJFTDPMHLD-UHFFFAOYSA-N
MW534.75 g/mol
LogP6.49
Rot. Bonds14

About N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide

N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 56601315) has the molecular formula C31H46N6O2 and a molecular weight of 534.75 g/mol. Its IUPAC name is N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID56601315
Molecular FormulaC31H46N6O2
Molecular Weight534.75 g/mol
Exact Mass534.37
IUPAC NameN,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccc(OC)cc3)n(CCCN3CCCCC3C)c2n1
InChIInChI=1S/C31H46N6O2/c1-5-7-19-36(20-8-6-2)30(38)28-18-17-27-29(33-28)37(23-11-22-35-21-10-9-12-24(35)3)31(34-27)32-25-13-15-26(39-4)16-14-25/h13-18,24H,5-12,19-23H2,1-4H3,(H,32,34)
InChIKeySFQQUJFTDPMHLD-UHFFFAOYSA-N
XLogP6.49
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.75
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide
CID 56601912
N-butan-2-yl-2-(4-methoxyanilino)-3-(3-piperidin-1-ylpropyl)-N-propylimidazo[4,5-b]pyridine-5-carboxamide
CID 56601705
3-(4-methoxyphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 42703465
1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 94605143
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 174948159
N,N-dibutyl-2-(3-cyanophenyl)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane
CID 158002337
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide
CID 59695492
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708507
1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 56601315) is N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccc(OC)cc3)n(CCCN3CCCCC3C)c2n1.
What is the InChIKey of N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is SFQQUJFTDPMHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N6O2/c1-5-7-19-36(20-8-6-2)30(38)28-18-17-27-29(33-28)37(23-11-22-35-21-10-9-12-24(35)3)31(34-27)32-25-13-15-26(39-4)16-14-25/h13-18,24H,5-12,19-23H2,1-4H3,(H,32,34).
What are the key properties of N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide?
N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 534.75 g/mol, XLogP of 6.49, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(4-methoxyanilino)-3-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 56601315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).