3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C14H20ClN3O2 — CID 109397875

IUPAC3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C14H20ClN3O2/c1-18(9-11-3-2-4-12(11)19)14(20)17-8-10-5-6-13(15)16-7-10/h5-7,11-12,19H,2-4,8-9H2,1H3,(H,17,20)
InChIKeyUVBXTNFAFANDTQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.04
Rot. Bonds4

About 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109397875) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109397875
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C14H20ClN3O2/c1-18(9-11-3-2-4-12(11)19)14(20)17-8-10-5-6-13(15)16-7-10/h5-7,11-12,19H,2-4,8-9H2,1H3,(H,17,20)
InChIKeyUVBXTNFAFANDTQ-UHFFFAOYSA-N
XLogP2.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242725
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[(4-methylsulfinylphenyl)methyl]urea
CID 86784691
3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398770
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096371
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398867
3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109397875) is 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)NCc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is UVBXTNFAFANDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-18(9-11-3-2-4-12(11)19)14(20)17-8-10-5-6-13(15)16-7-10/h5-7,11-12,19H,2-4,8-9H2,1H3,(H,17,20).
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 297.79 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109397875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).