1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea

C10H13N3O — CID 108910258

IUPAC1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
SMILESC=C(C)NC(=O)NCc1ccccn1
InChIInChI=1S/C10H13N3O/c1-8(2)13-10(14)12-7-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H2,12,13,14)
InChIKeyYIKBVULCQTWAEQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.41
Rot. Bonds3

About 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea

1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea (PubChem CID 108910258) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
PubChem CID108910258
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
SMILESC=C(C)NC(=O)NCc1ccccn1
InChIInChI=1S/C10H13N3O/c1-8(2)13-10(14)12-7-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H2,12,13,14)
InChIKeyYIKBVULCQTWAEQ-UHFFFAOYSA-N
XLogP1.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
N-(pyridin-2-ylmethyl)but-1-en-2-amine
CID 129060114
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea (CID 108910258) is 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea is C=C(C)NC(=O)NCc1ccccn1.
What is the InChIKey of 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea?
The InChIKey is YIKBVULCQTWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(2)13-10(14)12-7-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H2,12,13,14).
What are the key properties of 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea?
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea has a molecular weight of 191.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108910258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).