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

C25H28N4O2 — CID 123712768

IUPACN-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCC1(C)CC1C(=O)C1CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=CCN1
InChIInChI=1S/C25H28N4O2/c1-25(2)12-21(25)23(30)22-11-17(8-10-27-22)16-3-5-20(6-4-16)28-24(31)29-14-18-7-9-26-13-19(18)15-29/h3-9,13,21-22,27H,10-12,14-15H2,1-2H3,(H,28,31)
InChIKeyPBXCAXZZJKYNRE-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.99
Rot. Bonds4

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

N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 123712768) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID123712768
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCC1(C)CC1C(=O)C1CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=CCN1
InChIInChI=1S/C25H28N4O2/c1-25(2)12-21(25)23(30)22-11-17(8-10-27-22)16-3-5-20(6-4-16)28-24(31)29-14-18-7-9-26-13-19(18)15-29/h3-9,13,21-22,27H,10-12,14-15H2,1-2H3,(H,28,31)
InChIKeyPBXCAXZZJKYNRE-UHFFFAOYSA-N
XLogP3.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-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-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123547495
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
N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 123692425
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-[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
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-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 134497963
N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134516002
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-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 134515896

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-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-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CC1(C)CC1C(=O)C1CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=CCN1.
What is the InChIKey of N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is PBXCAXZZJKYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-25(2)12-21(25)23(30)22-11-17(8-10-27-22)16-3-5-20(6-4-16)28-24(31)29-14-18-7-9-26-13-19(18)15-29/h3-9,13,21-22,27H,10-12,14-15H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 123712768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).