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

C25H30N4O4S — CID 68751511

IUPACN-[4-[1-(1,1-dihydroxythiane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCS(O)(O)CC3)CC2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C25H30N4O4S/c30-24(20-8-13-34(32,33)14-9-20)28-11-6-19(7-12-28)18-1-3-23(4-2-18)27-25(31)29-16-21-5-10-26-15-22(21)17-29/h1-6,10,15,20,32-33H,7-9,11-14,16-17H2,(H,27,31)
InChIKeyKKSGSLALWUNZNS-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.41
Rot. Bonds3

About 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

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 (PubChem CID 68751511) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[1-(1,1-dihydroxythiane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID68751511
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-[4-[1-(1,1-dihydroxythiane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCS(O)(O)CC3)CC2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C25H30N4O4S/c30-24(20-8-13-34(32,33)14-9-20)28-11-6-19(7-12-28)18-1-3-23(4-2-18)27-25(31)29-16-21-5-10-26-15-22(21)17-29/h1-6,10,15,20,32-33H,7-9,11-14,16-17H2,(H,27,31)
InChIKeyKKSGSLALWUNZNS-UHFFFAOYSA-N
XLogP4.41
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
N-[6-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68749119
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-[(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-[(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-[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-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 134497963
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-(dimethylaminosulfanylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176961080
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1ccc(C2=CCN(C(=O)C3CCS(O)(O)CC3)CC2)cc1)N1Cc2ccncc2C1.
What is the InChIKey of 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?
The InChIKey is KKSGSLALWUNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c30-24(20-8-13-34(32,33)14-9-20)28-11-6-19(7-12-28)18-1-3-23(4-2-18)27-25(31)29-16-21-5-10-26-15-22(21)17-29/h1-6,10,15,20,32-33H,7-9,11-14,16-17H2,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 482.61 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68751511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).