1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea

C19H18N4O2 — CID 58659391

IUPAC1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESNCc1ccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)cc1
InChIInChI=1S/C19H18N4O2/c20-13-14-1-3-15(4-2-14)22-19(24)23-16-5-7-17(8-6-16)25-18-9-11-21-12-10-18/h1-12H,13,20H2,(H2,22,23,24)
InChIKeyYURDJHMGQJESJN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.98
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea

1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 58659391) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID58659391
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESNCc1ccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)cc1
InChIInChI=1S/C19H18N4O2/c20-13-14-1-3-15(4-2-14)22-19(24)23-16-5-7-17(8-6-16)25-18-9-11-21-12-10-18/h1-12H,13,20H2,(H2,22,23,24)
InChIKeyYURDJHMGQJESJN-UHFFFAOYSA-N
XLogP3.98
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
5-[4-[4-[[3-(aminomethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 174657001
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea (CID 58659391) is 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea is NCc1ccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is YURDJHMGQJESJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-13-14-1-3-15(4-2-14)22-19(24)23-16-5-7-17(8-6-16)25-18-9-11-21-12-10-18/h1-12H,13,20H2,(H2,22,23,24).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 334.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 58659391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).