1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea

C14H21N3O — CID 110478720

IUPAC1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
SMILESCN(C)C(=O)NCC1(c2ccccn2)CCCC1
InChIInChI=1S/C14H21N3O/c1-17(2)13(18)16-11-14(8-4-5-9-14)12-7-3-6-10-15-12/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJBYFCPJXWNVIOZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds3

About 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea

1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea (PubChem CID 110478720) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
PubChem CID110478720
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
SMILESCN(C)C(=O)NCC1(c2ccccn2)CCCC1
InChIInChI=1S/C14H21N3O/c1-17(2)13(18)16-11-14(8-4-5-9-14)12-7-3-6-10-15-12/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJBYFCPJXWNVIOZ-UHFFFAOYSA-N
XLogP2.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 154836948
1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 138054517
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 154741750
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 110483352
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126807843
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea (CID 110478720) is 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea is CN(C)C(=O)NCC1(c2ccccn2)CCCC1.
What is the InChIKey of 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea?
The InChIKey is JBYFCPJXWNVIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)13(18)16-11-14(8-4-5-9-14)12-7-3-6-10-15-12/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea?
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea has a molecular weight of 247.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 110478720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).