1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride

C14H16ClN3O — CID 24847582

IUPAC1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
SMILESCNC(=O)NC(c1ccccc1)c1ccncc1.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-15-14(18)17-13(11-5-3-2-4-6-11)12-7-9-16-10-8-12;/h2-10,13H,1H3,(H2,15,17,18);1H
InChIKeyXSUXREKKUDBLKE-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.52
Rot. Bonds3

About 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride

1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride (PubChem CID 24847582) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
PubChem CID24847582
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
SMILESCNC(=O)NC(c1ccccc1)c1ccncc1.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-15-14(18)17-13(11-5-3-2-4-6-11)12-7-9-16-10-8-12;/h2-10,13H,1H3,(H2,15,17,18);1H
InChIKeyXSUXREKKUDBLKE-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[phenyl(pyridin-4-yl)methyl]urea
CID 60565291
1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95316666
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 95318328
2-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125155588
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride?
The IUPAC name of 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride (CID 24847582) is 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride.
What is the SMILES notation for 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride?
The canonical SMILES for 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride is CNC(=O)NC(c1ccccc1)c1ccncc1.Cl.
What is the InChIKey of 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride?
The InChIKey is XSUXREKKUDBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c1-15-14(18)17-13(11-5-3-2-4-6-11)12-7-9-16-10-8-12;/h2-10,13H,1H3,(H2,15,17,18);1H.
What are the key properties of 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride?
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride is sourced from PubChem (CID 24847582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).