1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea

C18H18N4O — CID 21454522

IUPAC1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
SMILESCNc1ccc2cc(NC(=O)NCc3ccncc3)ccc2c1
InChIInChI=1S/C18H18N4O/c1-19-16-4-2-15-11-17(5-3-14(15)10-16)22-18(23)21-12-13-6-8-20-9-7-13/h2-11,19H,12H2,1H3,(H2,21,22,23)
InChIKeyYLFQQCMQDLQCJL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.60
Rot. Bonds4

About 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea

1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 21454522) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
PubChem CID21454522
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
SMILESCNc1ccc2cc(NC(=O)NCc3ccncc3)ccc2c1
InChIInChI=1S/C18H18N4O/c1-19-16-4-2-15-11-17(5-3-14(15)10-16)22-18(23)21-12-13-6-8-20-9-7-13/h2-11,19H,12H2,1H3,(H2,21,22,23)
InChIKeyYLFQQCMQDLQCJL-UHFFFAOYSA-N
XLogP3.60
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
2-fluoro-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61196451
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
2-hydroxy-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61200541
2-chloro-4-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61398635
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
1-[4-[(4-methoxyphenyl)methylsulfanylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 142402036
CID 142402002
CID 142402002
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea (CID 21454522) is 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea is CNc1ccc2cc(NC(=O)NCc3ccncc3)ccc2c1.
What is the InChIKey of 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is YLFQQCMQDLQCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-19-16-4-2-15-11-17(5-3-14(15)10-16)22-18(23)21-12-13-6-8-20-9-7-13/h2-11,19H,12H2,1H3,(H2,21,22,23).
What are the key properties of 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea?
1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 306.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 21454522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).