1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea

C9H12ClN3O — CID 97257516

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C9H12ClN3O/c1-2-11-9(14)13-6-8-5-7(10)3-4-12-8/h3-5H,2,6H2,1H3,(H2,11,13,14)
InChIKeyCFLLVAXEULZZRB-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.55
Rot. Bonds3

About 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea

1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea (PubChem CID 97257516) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea
PubChem CID97257516
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C9H12ClN3O/c1-2-11-9(14)13-6-8-5-7(10)3-4-12-8/h3-5H,2,6H2,1H3,(H2,11,13,14)
InChIKeyCFLLVAXEULZZRB-UHFFFAOYSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-2-pyridinyl)methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 97352959
N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 75501226
1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
CID 125499687
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine
CID 171382347
1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
CID 154843666
1-(4-chloro-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 144559566
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 97336644
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
methyl 2-[(4-chloro-2-pyridinyl)methylsulfanyl]acetate
CID 79245815

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea (CID 97257516) is 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea is CCNC(=O)NCc1cc(Cl)ccn1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea?
The InChIKey is CFLLVAXEULZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-11-9(14)13-6-8-5-7(10)3-4-12-8/h3-5H,2,6H2,1H3,(H2,11,13,14).
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea?
1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea has a molecular weight of 213.67 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea is sourced from PubChem (CID 97257516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).