1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea

C13H16N4O2 — CID 47383567

IUPAC1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
SMILESCNC(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C13H16N4O2/c1-7-8(2)15-11-9(7)5-4-6-10(11)12(18)16-17-13(19)14-3/h4-6,15H,1-3H3,(H,16,18)(H2,14,17,19)
InChIKeyNMCPLCDCJYOAPU-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.36
Rot. Bonds1

About 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea

1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea (PubChem CID 47383567) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea.

Molecular Properties

Compound Name1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
PubChem CID47383567
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
SMILESCNC(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C13H16N4O2/c1-7-8(2)15-11-9(7)5-4-6-10(11)12(18)16-17-13(19)14-3/h4-6,15H,1-3H3,(H,16,18)(H2,14,17,19)
InChIKeyNMCPLCDCJYOAPU-UHFFFAOYSA-N
XLogP1.36
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947
(2,3-dimethyl-1H-indol-7-yl)-thiomorpholin-4-ylmethanone
CID 87019766
N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 146022021
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 154834919
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea?
The IUPAC name of 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea (CID 47383567) is 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea.
What is the SMILES notation for 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea?
The canonical SMILES for 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea is CNC(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12.
What is the InChIKey of 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea?
The InChIKey is NMCPLCDCJYOAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-8(2)15-11-9(7)5-4-6-10(11)12(18)16-17-13(19)14-3/h4-6,15H,1-3H3,(H,16,18)(H2,14,17,19).
What are the key properties of 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea?
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea has a molecular weight of 260.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea is sourced from PubChem (CID 47383567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).