1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea

C18H17N5O — CID 113027801

IUPAC1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C18H17N5O/c24-18(22-15-6-2-1-3-7-15)23-17-9-8-16(13-21-17)20-12-14-5-4-10-19-11-14/h1-11,13,20H,12H2,(H2,21,22,23,24)
InChIKeyIRJIFOMSYUVUBE-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.73
Rot. Bonds5

About 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea

1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea (PubChem CID 113027801) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
PubChem CID113027801
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C18H17N5O/c24-18(22-15-6-2-1-3-7-15)23-17-9-8-16(13-21-17)20-12-14-5-4-10-19-11-14/h1-11,13,20H,12H2,(H2,21,22,23,24)
InChIKeyIRJIFOMSYUVUBE-UHFFFAOYSA-N
XLogP3.73
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
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N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
CID 68640144
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea?
The IUPAC name of 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea (CID 113027801) is 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea.
What is the SMILES notation for 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea?
The canonical SMILES for 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea is O=C(Nc1ccccc1)Nc1ccc(NCc2cccnc2)cn1.
What is the InChIKey of 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea?
The InChIKey is IRJIFOMSYUVUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(22-15-6-2-1-3-7-15)23-17-9-8-16(13-21-17)20-12-14-5-4-10-19-11-14/h1-11,13,20H,12H2,(H2,21,22,23,24).
What are the key properties of 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea?
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea has a molecular weight of 319.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea is sourced from PubChem (CID 113027801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).