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

C14H16N4O — CID 43744357

IUPAC1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
SMILESCNC(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C14H16N4O/c1-15-14(19)18-13-4-2-12(3-5-13)17-10-11-6-8-16-9-7-11/h2-9,17H,10H2,1H3,(H2,15,18,19)
InChIKeyZVDGKMXNTBNBNW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.44
Rot. Bonds4

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

1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea (PubChem CID 43744357) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
PubChem CID43744357
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
SMILESCNC(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C14H16N4O/c1-15-14(19)18-13-4-2-12(3-5-13)17-10-11-6-8-16-9-7-11/h2-9,17H,10H2,1H3,(H2,15,18,19)
InChIKeyZVDGKMXNTBNBNW-UHFFFAOYSA-N
XLogP2.44
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
1-methyl-3-[4-[(4-methylsulfanylphenyl)methylamino]phenyl]urea
CID 43744305
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
1-methyl-3-[4-(1H-pyrrol-3-ylmethylamino)phenyl]urea
CID 66407217
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
2-methyl-1-[4-(pyridin-4-ylmethylamino)phenyl]propan-1-one
CID 95463722
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
molecular hydrogen;N-[4-(pyridin-4-ylmethylamino)phenyl]octanamide
CID 154663589
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea?
The IUPAC name of 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea (CID 43744357) is 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea is CNC(=O)Nc1ccc(NCc2ccncc2)cc1.
What is the InChIKey of 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea?
The InChIKey is ZVDGKMXNTBNBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-15-14(19)18-13-4-2-12(3-5-13)17-10-11-6-8-16-9-7-11/h2-9,17H,10H2,1H3,(H2,15,18,19).
What are the key properties of 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea?
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea has a molecular weight of 256.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea is sourced from PubChem (CID 43744357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).