1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea

C19H23N3O2 — CID 48644122

IUPAC1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1
InChIInChI=1S/C19H23N3O2/c1-14-4-2-7-18(21-14)11-20-19(23)22-17-6-3-5-16(10-17)13-24-12-15-8-9-15/h2-7,10,15H,8-9,11-13H2,1H3,(H2,20,22,23)
InChIKeyQWAKGCQHGXLFJL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.64
Rot. Bonds7

About 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 48644122) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID48644122
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1
InChIInChI=1S/C19H23N3O2/c1-14-4-2-7-18(21-14)11-20-19(23)22-17-6-3-5-16(10-17)13-24-12-15-8-9-15/h2-7,10,15H,8-9,11-13H2,1H3,(H2,20,22,23)
InChIKeyQWAKGCQHGXLFJL-UHFFFAOYSA-N
XLogP3.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 48644122) is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1.
What is the InChIKey of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is QWAKGCQHGXLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-4-2-7-18(21-14)11-20-19(23)22-17-6-3-5-16(10-17)13-24-12-15-8-9-15/h2-7,10,15H,8-9,11-13H2,1H3,(H2,20,22,23).
What are the key properties of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 325.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 48644122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).