1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea

C18H21N5O — CID 99819593

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea
SMILESCN(C)c1cccc(CNC(=O)Nc2ccc3ccn(C)c3c2)n1
InChIInChI=1S/C18H21N5O/c1-22(2)17-6-4-5-15(20-17)12-19-18(24)21-14-8-7-13-9-10-23(3)16(13)11-14/h4-11H,12H2,1-3H3,(H2,19,21,24)
InChIKeyKZRKZHZGFPMTOO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.96
Rot. Bonds4

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea (PubChem CID 99819593) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea
PubChem CID99819593
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea
SMILESCN(C)c1cccc(CNC(=O)Nc2ccc3ccn(C)c3c2)n1
InChIInChI=1S/C18H21N5O/c1-22(2)17-6-4-5-15(20-17)12-19-18(24)21-14-8-7-13-9-10-23(3)16(13)11-14/h4-11H,12H2,1-3H3,(H2,19,21,24)
InChIKeyKZRKZHZGFPMTOO-UHFFFAOYSA-N
XLogP2.96
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea (CID 99819593) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea is CN(C)c1cccc(CNC(=O)Nc2ccc3ccn(C)c3c2)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea?
The InChIKey is KZRKZHZGFPMTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22(2)17-6-4-5-15(20-17)12-19-18(24)21-14-8-7-13-9-10-23(3)16(13)11-14/h4-11H,12H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea is sourced from PubChem (CID 99819593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).