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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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).