1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea

C21H28N4O2 — CID 55704797

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
SMILESCc1cc(N(C)C)ccc1NC(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C21H28N4O2/c1-15-13-17(25(2)3)10-11-19(15)24-21(26)23-14-16-7-6-12-22-20(16)27-18-8-4-5-9-18/h6-7,10-13,18H,4-5,8-9,14H2,1-3H3,(H2,23,24,26)
InChIKeyLSJCIROJGSDYDH-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.10
Rot. Bonds6

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea (PubChem CID 55704797) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
PubChem CID55704797
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
SMILESCc1cc(N(C)C)ccc1NC(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C21H28N4O2/c1-15-13-17(25(2)3)10-11-19(15)24-21(26)23-14-16-7-6-12-22-20(16)27-18-8-4-5-9-18/h6-7,10-13,18H,4-5,8-9,14H2,1-3H3,(H2,23,24,26)
InChIKeyLSJCIROJGSDYDH-UHFFFAOYSA-N
XLogP4.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 55795149
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 55794546
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084342
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
CID 166217164

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea (CID 55704797) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea is Cc1cc(N(C)C)ccc1NC(=O)NCc1cccnc1OC1CCCC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea?
The InChIKey is LSJCIROJGSDYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-13-17(25(2)3)10-11-19(15)24-21(26)23-14-16-7-6-12-22-20(16)27-18-8-4-5-9-18/h6-7,10-13,18H,4-5,8-9,14H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea has a molecular weight of 368.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea is sourced from PubChem (CID 55704797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).