1-ethyl-3-(4-methyl-3-pyridinyl)urea

C9H13N3O — CID 115776522

IUPAC1-ethyl-3-(4-methyl-3-pyridinyl)urea
SMILESCCNC(=O)Nc1cnccc1C
InChIInChI=1S/C9H13N3O/c1-3-11-9(13)12-8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyGJLJKPVYALAWCE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds2

About 1-ethyl-3-(4-methyl-3-pyridinyl)urea

1-ethyl-3-(4-methyl-3-pyridinyl)urea (PubChem CID 115776522) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-ethyl-3-(4-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-methyl-3-pyridinyl)urea
PubChem CID115776522
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-ethyl-3-(4-methyl-3-pyridinyl)urea
SMILESCCNC(=O)Nc1cnccc1C
InChIInChI=1S/C9H13N3O/c1-3-11-9(13)12-8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyGJLJKPVYALAWCE-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107566981
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656
1-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 75514282
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
(2S)-4-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 63327853
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methyl-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-3-(4-methyl-3-pyridinyl)urea (CID 115776522) is 1-ethyl-3-(4-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-3-(4-methyl-3-pyridinyl)urea is CCNC(=O)Nc1cnccc1C.
What is the InChIKey of 1-ethyl-3-(4-methyl-3-pyridinyl)urea?
The InChIKey is GJLJKPVYALAWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-11-9(13)12-8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(4-methyl-3-pyridinyl)urea?
1-ethyl-3-(4-methyl-3-pyridinyl)urea has a molecular weight of 179.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methyl-3-pyridinyl)urea is sourced from PubChem (CID 115776522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).