1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea

C18H17N5O — CID 113012942

IUPAC1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C18H17N5O/c24-18(22-15-4-2-1-3-5-15)23-16-6-7-17(21-13-16)20-12-14-8-10-19-11-9-14/h1-11,13H,12H2,(H,20,21)(H2,22,23,24)
InChIKeyHNYVMXTXEFCHLO-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.73
Rot. Bonds5

About 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea

1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea (PubChem CID 113012942) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
PubChem CID113012942
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C18H17N5O/c24-18(22-15-4-2-1-3-5-15)23-16-6-7-17(21-13-16)20-12-14-8-10-19-11-9-14/h1-11,13H,12H2,(H,20,21)(H2,22,23,24)
InChIKeyHNYVMXTXEFCHLO-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

1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
The IUPAC name of 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea (CID 113012942) is 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea is O=C(Nc1ccccc1)Nc1ccc(NCc2ccncc2)nc1.
What is the InChIKey of 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
The InChIKey is HNYVMXTXEFCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(22-15-4-2-1-3-5-15)23-16-6-7-17(21-13-16)20-12-14-8-10-19-11-9-14/h1-11,13H,12H2,(H,20,21)(H2,22,23,24).
What are the key properties of 1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-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-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea is sourced from PubChem (CID 113012942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).