N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide

C18H18N4O2 — CID 167796814

IUPACN-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)Nc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C18H18N4O2/c1-22(2)18(24)21-15-5-3-4-14(11-15)20-17(23)13-7-6-12-8-9-19-16(12)10-13/h3-11,19H,1-2H3,(H,20,23)(H,21,24)
InChIKeyJEIOXJXMEVAZKI-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.51
Rot. Bonds3

About N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide

N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide (PubChem CID 167796814) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
PubChem CID167796814
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)Nc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C18H18N4O2/c1-22(2)18(24)21-15-5-3-4-14(11-15)20-17(23)13-7-6-12-8-9-19-16(12)10-13/h3-11,19H,1-2H3,(H,20,23)(H,21,24)
InChIKeyJEIOXJXMEVAZKI-UHFFFAOYSA-N
XLogP3.51
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
3-(dimethylamino)-N-(1H-indol-5-yl)benzamide
CID 110744980
N-(3-ethoxyphenyl)-1H-indole-5-carboxamide
CID 63718266
N-[4-(dimethylamino)-3-pyridinyl]-1H-indole-6-carboxamide
CID 63318987

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide (CID 167796814) is N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide is CN(C)C(=O)Nc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide?
The InChIKey is JEIOXJXMEVAZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22(2)18(24)21-15-5-3-4-14(11-15)20-17(23)13-7-6-12-8-9-19-16(12)10-13/h3-11,19H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide?
N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 167796814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).