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

C32H47N5O2 — CID 56599933

IUPAC2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1ccc(-c2nc3cnc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1
InChIInChI=1S/C32H47N5O2/c1-24(2)14-20-36(21-15-25(3)4)32(38)28-22-30-29(23-33-28)34-31(26-10-12-27(39-5)13-11-26)37(30)19-9-18-35-16-7-6-8-17-35/h10-13,22-25H,6-9,14-21H2,1-5H3
InChIKeySIWOYQPMZBVNKI-UHFFFAOYSA-N
MW533.76 g/mol
LogP6.52
Rot. Bonds13

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

2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 56599933) has the molecular formula C32H47N5O2 and a molecular weight of 533.76 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID56599933
Molecular FormulaC32H47N5O2
Molecular Weight533.76 g/mol
Exact Mass533.37
IUPAC Name2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1ccc(-c2nc3cnc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1
InChIInChI=1S/C32H47N5O2/c1-24(2)14-20-36(21-15-25(3)4)32(38)28-22-30-29(23-33-28)34-31(26-10-12-27(39-5)13-11-26)37(30)19-9-18-35-16-7-6-8-17-35/h10-13,22-25H,6-9,14-21H2,1-5H3
InChIKeySIWOYQPMZBVNKI-UHFFFAOYSA-N
XLogP6.52
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.76
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (CID 56599933) is 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is COc1ccc(-c2nc3cnc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is SIWOYQPMZBVNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O2/c1-24(2)14-20-36(21-15-25(3)4)32(38)28-22-30-29(23-33-28)34-31(26-10-12-27(39-5)13-11-26)37(30)19-9-18-35-16-7-6-8-17-35/h10-13,22-25H,6-9,14-21H2,1-5H3.
What are the key properties of 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 533.76 g/mol, XLogP of 6.52, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 56599933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).