1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea

C13H20N4O — CID 86816886

IUPAC1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
SMILESCN(C)CCN(C(=O)Nc1ccccn1)C1CC1
InChIInChI=1S/C13H20N4O/c1-16(2)9-10-17(11-6-7-11)13(18)15-12-5-3-4-8-14-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,14,15,18)
InChIKeyIMOFEKPGVMWGRZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds5

About 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea

1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea (PubChem CID 86816886) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
PubChem CID86816886
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
SMILESCN(C)CCN(C(=O)Nc1ccccn1)C1CC1
InChIInChI=1S/C13H20N4O/c1-16(2)9-10-17(11-6-7-11)13(18)15-12-5-3-4-8-14-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,14,15,18)
InChIKeyIMOFEKPGVMWGRZ-UHFFFAOYSA-N
XLogP1.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
4-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-2-ylurea
CID 97083594
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride
CID 54606002
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
CID 47267033
N'-ethyl-N'-(2-hydroxyethyl)-N-pyridin-2-yloxamide
CID 108525117
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
N',N'-dipropyl-N-pyridin-2-yloxamide
CID 108525916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea (CID 86816886) is 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea is CN(C)CCN(C(=O)Nc1ccccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
The InChIKey is IMOFEKPGVMWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)9-10-17(11-6-7-11)13(18)15-12-5-3-4-8-14-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,14,15,18).
What are the key properties of 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea has a molecular weight of 248.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 86816886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).