6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide

C22H24N4O3 — CID 167986253

IUPAC6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)C3CC4CCCC4C3)c2)n1
InChIInChI=1S/C22H24N4O3/c23-20(27)18-8-3-9-19(26-18)22(29)25-17-7-2-6-16(12-17)24-21(28)15-10-13-4-1-5-14(13)11-15/h2-3,6-9,12-15H,1,4-5,10-11H2,(H2,23,27)(H,24,28)(H,25,29)
InChIKeyDMYVPGOPXAOSDW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.20
Rot. Bonds5

About 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide

6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 167986253) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide
PubChem CID167986253
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)C3CC4CCCC4C3)c2)n1
InChIInChI=1S/C22H24N4O3/c23-20(27)18-8-3-9-19(26-18)22(29)25-17-7-2-6-16(12-17)24-21(28)15-10-13-4-1-5-14(13)11-15/h2-3,6-9,12-15H,1,4-5,10-11H2,(H2,23,27)(H,24,28)(H,25,29)
InChIKeyDMYVPGOPXAOSDW-UHFFFAOYSA-N
XLogP3.20
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

N-[3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120984691
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CID 120985581
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
9-amino-N-[3-(2-methoxypropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987594
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
9-amino-N-[3-(2-methylpyrimidin-4-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985661
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986715
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide (CID 167986253) is 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)C3CC4CCCC4C3)c2)n1.
What is the InChIKey of 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is DMYVPGOPXAOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c23-20(27)18-8-3-9-19(26-18)22(29)25-17-7-2-6-16(12-17)24-21(28)15-10-13-4-1-5-14(13)11-15/h2-3,6-9,12-15H,1,4-5,10-11H2,(H2,23,27)(H,24,28)(H,25,29).
What are the key properties of 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide?
6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonylamino)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 167986253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).