3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea

C15H18N4O — CID 106936437

IUPAC3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
SMILESCCN(C(=O)Nc1ccc(CN)cc1)c1ccncc1
InChIInChI=1S/C15H18N4O/c1-2-19(14-7-9-17-10-8-14)15(20)18-13-5-3-12(11-16)4-6-13/h3-10H,2,11,16H2,1H3,(H,18,20)
InChIKeyWTMDQUYRWPJBLV-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.60
Rot. Bonds4

About 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea

3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea (PubChem CID 106936437) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
PubChem CID106936437
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
SMILESCCN(C(=O)Nc1ccc(CN)cc1)c1ccncc1
InChIInChI=1S/C15H18N4O/c1-2-19(14-7-9-17-10-8-14)15(20)18-13-5-3-12(11-16)4-6-13/h3-10H,2,11,16H2,1H3,(H,18,20)
InChIKeyWTMDQUYRWPJBLV-UHFFFAOYSA-N
XLogP2.60
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
CID 174285055
1-phenyl-1-propyl-3-pyridin-4-ylurea
CID 134101956
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 63229714
4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 106936138
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 59011783

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea (CID 106936437) is 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea is CCN(C(=O)Nc1ccc(CN)cc1)c1ccncc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea?
The InChIKey is WTMDQUYRWPJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-19(14-7-9-17-10-8-14)15(20)18-13-5-3-12(11-16)4-6-13/h3-10H,2,11,16H2,1H3,(H,18,20).
What are the key properties of 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea?
3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea has a molecular weight of 270.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea is sourced from PubChem (CID 106936437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).