1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea

C16H12ClN3O — CID 27190760

IUPAC1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1cccc2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-15-10-12(8-9-18-15)19-16(21)20-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,18,19,20,21)
InChIKeyNJHJJRAZMQIOIG-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.53
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea

1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea (PubChem CID 27190760) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
PubChem CID27190760
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1cccc2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-15-10-12(8-9-18-15)19-16(21)20-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,18,19,20,21)
InChIKeyNJHJJRAZMQIOIG-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-(4-chloro-2,6-dimethylphenyl)-3-naphthalen-1-ylurea
CID 3557641
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69011660
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea (CID 27190760) is 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea is O=C(Nc1ccnc(Cl)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea?
The InChIKey is NJHJJRAZMQIOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-10-12(8-9-18-15)19-16(21)20-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,18,19,20,21).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea?
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea has a molecular weight of 297.75 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 27190760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).