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

C24H25N5O3 — CID 123749606

IUPACN-[4-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)C2CC(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)=CCN2)N1
InChIInChI=1S/C24H25N5O3/c30-22-6-5-20(28-22)23(31)21-11-16(8-10-26-21)15-1-3-19(4-2-15)27-24(32)29-13-17-7-9-25-12-18(17)14-29/h1-4,7-9,12,20-21,26H,5-6,10-11,13-14H2,(H,27,32)(H,28,30)/t20-,21?/m0/s1
InChIKeyUIAISBHKJUILKB-BGERDNNASA-N
MW431.50 g/mol
LogP2.22
Rot. Bonds4

About 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

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 (PubChem CID 123749606) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID123749606
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[4-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)C2CC(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)=CCN2)N1
InChIInChI=1S/C24H25N5O3/c30-22-6-5-20(28-22)23(31)21-11-16(8-10-26-21)15-1-3-19(4-2-15)27-24(32)29-13-17-7-9-25-12-18(17)14-29/h1-4,7-9,12,20-21,26H,5-6,10-11,13-14H2,(H,27,32)(H,28,30)/t20-,21?/m0/s1
InChIKeyUIAISBHKJUILKB-BGERDNNASA-N
XLogP2.22
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[(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-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-[(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
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-(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-(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-[2-(dimethylamino)ethyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134497868
N-[4-[1-(furan-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68751029

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CC[C@@H](C(=O)C2CC(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)=CCN2)N1.
What is the InChIKey of 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?
The InChIKey is UIAISBHKJUILKB-BGERDNNASA-N. The full InChI is InChI=1S/C24H25N5O3/c30-22-6-5-20(28-22)23(31)21-11-16(8-10-26-21)15-1-3-19(4-2-15)27-24(32)29-13-17-7-9-25-12-18(17)14-29/h1-4,7-9,12,20-21,26H,5-6,10-11,13-14H2,(H,27,32)(H,28,30)/t20-,21?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 431.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123749606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).