1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea

C18H17N3O — CID 45147279

IUPAC1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc2ccccc2c1)c1ccncc1
InChIInChI=1S/C18H17N3O/c1-13(14-8-10-19-11-9-14)20-18(22)21-17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H2,20,21,22)
InChIKeySQPZIFRGBGPZBB-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.12
Rot. Bonds3

About 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea

1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea (PubChem CID 45147279) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
PubChem CID45147279
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc2ccccc2c1)c1ccncc1
InChIInChI=1S/C18H17N3O/c1-13(14-8-10-19-11-9-14)20-18(22)21-17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H2,20,21,22)
InChIKeySQPZIFRGBGPZBB-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
methyl 2-chloro-4-(1-pyridin-4-ylethylcarbamoylamino)benzoate
CID 122140863
N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]naphthalene-2-carboxamide
CID 2472244
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3-chloro-4-piperidin-1-ylphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95686874

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea (CID 45147279) is 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)Nc1ccc2ccccc2c1)c1ccncc1.
What is the InChIKey of 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is SQPZIFRGBGPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13(14-8-10-19-11-9-14)20-18(22)21-17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H2,20,21,22).
What are the key properties of 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea?
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 291.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 45147279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).