N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide

C25H23N5O3 — CID 46286699

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C25H23N5O3/c31-25(27-18-8-9-21-22(15-18)33-16-32-21)29-13-10-19(11-14-29)30-23(17-5-2-1-3-6-17)28-20-7-4-12-26-24(20)30/h1-9,12,15,19H,10-11,13-14,16H2,(H,27,31)
InChIKeyFADWAWDZEIXYSU-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.70
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 46286699) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID46286699
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C25H23N5O3/c31-25(27-18-8-9-21-22(15-18)33-16-32-21)29-13-10-19(11-14-29)30-23(17-5-2-1-3-6-17)28-20-7-4-12-26-24(20)30/h1-9,12,15,19H,10-11,13-14,16H2,(H,27,31)
InChIKeyFADWAWDZEIXYSU-UHFFFAOYSA-N
XLogP4.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
N-phenyl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286596
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46286666
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 90493851
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
CID 104698547
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide (CID 46286699) is N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is FADWAWDZEIXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c31-25(27-18-8-9-21-22(15-18)33-16-32-21)29-13-10-19(11-14-29)30-23(17-5-2-1-3-6-17)28-20-7-4-12-26-24(20)30/h1-9,12,15,19H,10-11,13-14,16H2,(H,27,31).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46286699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).