1-methyl-3-(1-pyridin-3-ylethyl)urea

C9H13N3O — CID 115576611

IUPAC1-methyl-3-(1-pyridin-3-ylethyl)urea
SMILESCNC(=O)NC(C)c1cccnc1
InChIInChI=1S/C9H13N3O/c1-7(12-9(13)10-2)8-4-3-5-11-6-8/h3-7H,1-2H3,(H2,10,12,13)
InChIKeyKEDLOTCWIKJYRH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.07
Rot. Bonds2

About 1-methyl-3-(1-pyridin-3-ylethyl)urea

1-methyl-3-(1-pyridin-3-ylethyl)urea (PubChem CID 115576611) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-methyl-3-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-pyridin-3-ylethyl)urea
PubChem CID115576611
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-methyl-3-(1-pyridin-3-ylethyl)urea
SMILESCNC(=O)NC(C)c1cccnc1
InChIInChI=1S/C9H13N3O/c1-7(12-9(13)10-2)8-4-3-5-11-6-8/h3-7H,1-2H3,(H2,10,12,13)
InChIKeyKEDLOTCWIKJYRH-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
1-methyl-3-(1-pyridin-3-ylethyl)thiourea
CID 115571961
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-methyl-3-(1-pyridin-3-ylethyl)urea (CID 115576611) is 1-methyl-3-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(1-pyridin-3-ylethyl)urea is CNC(=O)NC(C)c1cccnc1.
What is the InChIKey of 1-methyl-3-(1-pyridin-3-ylethyl)urea?
The InChIKey is KEDLOTCWIKJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(12-9(13)10-2)8-4-3-5-11-6-8/h3-7H,1-2H3,(H2,10,12,13).
What are the key properties of 1-methyl-3-(1-pyridin-3-ylethyl)urea?
1-methyl-3-(1-pyridin-3-ylethyl)urea has a molecular weight of 179.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 115576611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).