N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H24N4O3 — CID 68751029

IUPACN-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3ccco3)CC2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C24H24N4O3/c29-23(22-2-1-13-31-22)27-11-8-18(9-12-27)17-3-5-21(6-4-17)26-24(30)28-15-19-7-10-25-14-20(19)16-28/h1-7,10,13-14,18H,8-9,11-12,15-16H2,(H,26,30)
InChIKeyQEZIZUJCVWPKFO-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.24
Rot. Bonds3

About N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 68751029) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID68751029
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3ccco3)CC2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C24H24N4O3/c29-23(22-2-1-13-31-22)27-11-8-18(9-12-27)17-3-5-21(6-4-17)26-24(30)28-15-19-7-10-25-14-20(19)16-28/h1-7,10,13-14,18H,8-9,11-12,15-16H2,(H,26,30)
InChIKeyQEZIZUJCVWPKFO-UHFFFAOYSA-N
XLogP4.24
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
CID 86791229
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
5-[1-(furan-2-carbonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376420
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
1-(furan-2-carbonyl)-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 39263707
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 68751029) is N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)c3ccco3)CC2)cc1)N1Cc2ccncc2C1.
What is the InChIKey of N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is QEZIZUJCVWPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-23(22-2-1-13-31-22)27-11-8-18(9-12-27)17-3-5-21(6-4-17)26-24(30)28-15-19-7-10-25-14-20(19)16-28/h1-7,10,13-14,18H,8-9,11-12,15-16H2,(H,26,30).
What are the key properties of N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 68751029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).