1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea

C17H30N4O — CID 12857647

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1
InChIInChI=1S/C17H30N4O/c1-13(2)20(14(3)4)11-12-21(17(22)19(6)7)16-10-8-9-15(5)18-16/h8-10,13-14H,11-12H2,1-7H3
InChIKeyWQWQPDJGXSAMFL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea

1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea (PubChem CID 12857647) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea
PubChem CID12857647
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1
InChIInChI=1S/C17H30N4O/c1-13(2)20(14(3)4)11-12-21(17(22)19(6)7)16-10-8-9-15(5)18-16/h8-10,13-14H,11-12H2,1-7H3
InChIKeyWQWQPDJGXSAMFL-UHFFFAOYSA-N
XLogP3.00
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea (CID 12857647) is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea is Cc1cccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea?
The InChIKey is WQWQPDJGXSAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13(2)20(14(3)4)11-12-21(17(22)19(6)7)16-10-8-9-15(5)18-16/h8-10,13-14H,11-12H2,1-7H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea has a molecular weight of 306.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 12857647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).