N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C21H24N4O3 — CID 119872975

IUPACN-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESNC(=O)c1cccc(Oc2ccc(NC(=O)C3CC4CCCCC4N3)cn2)c1
InChIInChI=1S/C21H24N4O3/c22-20(26)14-5-3-6-16(10-14)28-19-9-8-15(12-23-19)24-21(27)18-11-13-4-1-2-7-17(13)25-18/h3,5-6,8-10,12-13,17-18,25H,1-2,4,7,11H2,(H2,22,26)(H,24,27)
InChIKeyPDMLFCWTPOEWBI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.83
Rot. Bonds5

About N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119872975) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119872975
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESNC(=O)c1cccc(Oc2ccc(NC(=O)C3CC4CCCCC4N3)cn2)c1
InChIInChI=1S/C21H24N4O3/c22-20(26)14-5-3-6-16(10-14)28-19-9-8-15(12-23-19)24-21(27)18-11-13-4-1-2-7-17(13)25-18/h3,5-6,8-10,12-13,17-18,25H,1-2,4,7,11H2,(H2,22,26)(H,24,27)
InChIKeyPDMLFCWTPOEWBI-UHFFFAOYSA-N
XLogP2.83
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119894510
3-[[5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-pyridinyl]oxy]benzamide
CID 97011616
3-amino-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119872968
N-[6-(3-carbamoylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119872961
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoic acid
CID 61157479
N-(3-propoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284767
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119870344
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119284193
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284421
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[4-(phenylcarbamoylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277181
3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119872984

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119872975) is N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is NC(=O)c1cccc(Oc2ccc(NC(=O)C3CC4CCCCC4N3)cn2)c1.
What is the InChIKey of N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is PDMLFCWTPOEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c22-20(26)14-5-3-6-16(10-14)28-19-9-8-15(12-23-19)24-21(27)18-11-13-4-1-2-7-17(13)25-18/h3,5-6,8-10,12-13,17-18,25H,1-2,4,7,11H2,(H2,22,26)(H,24,27).
What are the key properties of N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119872975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).