1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea

C14H16N4O2 — CID 62355150

IUPAC1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(CN)cn2)c1
InChIInChI=1S/C14H16N4O2/c1-20-12-4-2-3-11(7-12)17-14(19)18-13-6-5-10(8-15)9-16-13/h2-7,9H,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyHUKRMBMSPQTAEF-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.19
Rot. Bonds4

About 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea

1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea (PubChem CID 62355150) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea
PubChem CID62355150
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(CN)cn2)c1
InChIInChI=1S/C14H16N4O2/c1-20-12-4-2-3-11(7-12)17-14(19)18-13-6-5-10(8-15)9-16-13/h2-7,9H,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyHUKRMBMSPQTAEF-UHFFFAOYSA-N
XLogP2.19
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(aminomethyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 62354540
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea (CID 62355150) is 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(CN)cn2)c1.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea?
The InChIKey is HUKRMBMSPQTAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-12-4-2-3-11(7-12)17-14(19)18-13-6-5-10(8-15)9-16-13/h2-7,9H,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea?
1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea has a molecular weight of 272.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 62355150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).