1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea

C20H24N4O3 — CID 166211516

IUPAC1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea
SMILESO=C(Cc1cccnc1)NNC(=O)Nc1ccc(COC2CCCC2)cc1
InChIInChI=1S/C20H24N4O3/c25-19(12-16-4-3-11-21-13-16)23-24-20(26)22-17-9-7-15(8-10-17)14-27-18-5-1-2-6-18/h3-4,7-11,13,18H,1-2,5-6,12,14H2,(H,23,25)(H2,22,24,26)
InChIKeyRYCDCJHDHMXSQU-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.94
Rot. Bonds6

About 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea

1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea (PubChem CID 166211516) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea.

Molecular Properties

Compound Name1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea
PubChem CID166211516
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea
SMILESO=C(Cc1cccnc1)NNC(=O)Nc1ccc(COC2CCCC2)cc1
InChIInChI=1S/C20H24N4O3/c25-19(12-16-4-3-11-21-13-16)23-24-20(26)22-17-9-7-15(8-10-17)14-27-18-5-1-2-6-18/h3-4,7-11,13,18H,1-2,5-6,12,14H2,(H,23,25)(H2,22,24,26)
InChIKeyRYCDCJHDHMXSQU-UHFFFAOYSA-N
XLogP2.94
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]acetamide;hydrochloride
CID 119330098
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide
CID 111433298
N-[4-(cyclopentyloxymethyl)phenyl]-2-(methylamino)acetamide
CID 119795210
2-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976294
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119185944
2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide
CID 55840932
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
4-(aminomethyl)-N-[4-(cyclopentyloxymethyl)phenyl]benzamide
CID 119330109
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea?
The IUPAC name of 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea (CID 166211516) is 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea.
What is the SMILES notation for 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea?
The canonical SMILES for 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea is O=C(Cc1cccnc1)NNC(=O)Nc1ccc(COC2CCCC2)cc1.
What is the InChIKey of 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea?
The InChIKey is RYCDCJHDHMXSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(12-16-4-3-11-21-13-16)23-24-20(26)22-17-9-7-15(8-10-17)14-27-18-5-1-2-6-18/h3-4,7-11,13,18H,1-2,5-6,12,14H2,(H,23,25)(H2,22,24,26).
What are the key properties of 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea?
1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea has a molecular weight of 368.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea is sourced from PubChem (CID 166211516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).