2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide

C16H20N4O2 — CID 24989062

IUPAC2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(C3CCCCC3)ccc2c1C(N)=O
InChIInChI=1S/C16H20N4O2/c17-14(21)13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)19-15(13)20-16(18)22/h6-9,19H,1-5H2,(H2,17,21)(H3,18,20,22)
InChIKeyXLWCJOHZHGRDCX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds3

About 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide

2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide (PubChem CID 24989062) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
PubChem CID24989062
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(C3CCCCC3)ccc2c1C(N)=O
InChIInChI=1S/C16H20N4O2/c17-14(21)13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)19-15(13)20-16(18)22/h6-9,19H,1-5H2,(H2,17,21)(H3,18,20,22)
InChIKeyXLWCJOHZHGRDCX-UHFFFAOYSA-N
XLogP2.81
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
CID 59189919
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide
CID 176988561
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
CID 59189887
(4-cyclopentylphenyl)urea
CID 130193151
[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
CID 59189839
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
CID 59189868
2-(carbamoylamino)-6-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-3-carboxamide
CID 59189952
2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide
CID 59189714

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide (CID 24989062) is 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(C3CCCCC3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide?
The InChIKey is XLWCJOHZHGRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-14(21)13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)19-15(13)20-16(18)22/h6-9,19H,1-5H2,(H2,17,21)(H3,18,20,22).
What are the key properties of 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide is sourced from PubChem (CID 24989062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).