1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea

C19H23N7O — CID 72868920

IUPAC1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea
SMILESCc1nnnn1-c1ccc(NC(=O)N(Cc2ccccn2)CC(C)C)cc1
InChIInChI=1S/C19H23N7O/c1-14(2)12-25(13-17-6-4-5-11-20-17)19(27)21-16-7-9-18(10-8-16)26-15(3)22-23-24-26/h4-11,14H,12-13H2,1-3H3,(H,21,27)
InChIKeyHTEXHALHXAQLOR-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea

1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea (PubChem CID 72868920) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea
PubChem CID72868920
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea
SMILESCc1nnnn1-c1ccc(NC(=O)N(Cc2ccccn2)CC(C)C)cc1
InChIInChI=1S/C19H23N7O/c1-14(2)12-25(13-17-6-4-5-11-20-17)19(27)21-16-7-9-18(10-8-16)26-15(3)22-23-24-26/h4-11,14H,12-13H2,1-3H3,(H,21,27)
InChIKeyHTEXHALHXAQLOR-UHFFFAOYSA-N
XLogP3.06
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea (CID 72868920) is 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea is Cc1nnnn1-c1ccc(NC(=O)N(Cc2ccccn2)CC(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea?
The InChIKey is HTEXHALHXAQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14(2)12-25(13-17-6-4-5-11-20-17)19(27)21-16-7-9-18(10-8-16)26-15(3)22-23-24-26/h4-11,14H,12-13H2,1-3H3,(H,21,27).
What are the key properties of 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea?
1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea has a molecular weight of 365.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 72868920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).