N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H26N4O3 — CID 123718200

IUPACN-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(C1CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=CCN1)[C@@H]1CCOC1
InChIInChI=1S/C24H26N4O3/c29-23(19-7-10-31-15-19)22-11-17(6-9-26-22)16-1-3-21(4-2-16)27-24(30)28-13-18-5-8-25-12-20(18)14-28/h1-6,8,12,19,22,26H,7,9-11,13-15H2,(H,27,30)/t19-,22?/m1/s1
InChIKeyNCWBIOWQWOSWLQ-LCQOSCCDSA-N
MW418.50 g/mol
LogP2.98
Rot. Bonds4

About N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 123718200) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID123718200
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(C1CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=CCN1)[C@@H]1CCOC1
InChIInChI=1S/C24H26N4O3/c29-23(19-7-10-31-15-19)22-11-17(6-9-26-22)16-1-3-21(4-2-16)27-24(30)28-13-18-5-8-25-12-20(18)14-28/h1-6,8,12,19,22,26H,7,9-11,13-15H2,(H,27,30)/t19-,22?/m1/s1
InChIKeyNCWBIOWQWOSWLQ-LCQOSCCDSA-N
XLogP2.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123749606
N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123712768
N-[4-[2-(2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123547495
N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 123692425
N-[4-[1-(1,1-dihydroxythiane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68751511
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
N-[4-[(4S)-1-cyclopropyl-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134498040
N-[4-[(4S)-4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134515647
N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68751029
N-[4-[1-(3-hydroxypropyl)-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134516186
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 134497963
N-[4-[1-[2-(dimethylamino)ethyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134497868

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 123718200) is N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(C1CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=CCN1)[C@@H]1CCOC1.
What is the InChIKey of N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is NCWBIOWQWOSWLQ-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(19-7-10-31-15-19)22-11-17(6-9-26-22)16-1-3-21(4-2-16)27-24(30)28-13-18-5-8-25-12-20(18)14-28/h1-6,8,12,19,22,26H,7,9-11,13-15H2,(H,27,30)/t19-,22?/m1/s1.
What are the key properties of N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 123718200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).