1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea

C17H30N4O — CID 12857646

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc1
InChIInChI=1S/C17H30N4O/c1-13(2)20(14(3)4)10-11-21(17(22)19(6)7)16-9-8-15(5)12-18-16/h8-9,12-14H,10-11H2,1-7H3
InChIKeyNBJXOVYHMUKKCX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea

1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea (PubChem CID 12857646) 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-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea
PubChem CID12857646
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc1
InChIInChI=1S/C17H30N4O/c1-13(2)20(14(3)4)10-11-21(17(22)19(6)7)16-9-8-15(5)12-18-16/h8-9,12-14H,10-11H2,1-7H3
InChIKeyNBJXOVYHMUKKCX-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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Related Compounds

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1-(2-Phenethyl)-4-(2-pyridyl)piperazine
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CID 99760
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
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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-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea (CID 12857646) is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea is Cc1ccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc1.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea?
The InChIKey is NBJXOVYHMUKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13(2)20(14(3)4)10-11-21(17(22)19(6)7)16-9-8-15(5)12-18-16/h8-9,12-14H,10-11H2,1-7H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-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-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 12857646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).