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

C19H26N4O — CID 75389175

IUPAC1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NCc1ccc(N(C)C)cc1C
InChIInChI=1S/C19H26N4O/c1-14-11-18(23(3)4)6-5-17(14)13-22-19(24)21-10-8-16-7-9-20-12-15(16)2/h5-7,9,11-12H,8,10,13H2,1-4H3,(H2,21,22,24)
InChIKeySPUCDWAHLUQEAZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.81
Rot. Bonds6

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

1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 75389175) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID75389175
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NCc1ccc(N(C)C)cc1C
InChIInChI=1S/C19H26N4O/c1-14-11-18(23(3)4)6-5-17(14)13-22-19(24)21-10-8-16-7-9-20-12-15(16)2/h5-7,9,11-12H,8,10,13H2,1-4H3,(H2,21,22,24)
InChIKeySPUCDWAHLUQEAZ-UHFFFAOYSA-N
XLogP2.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 75389175) is 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NCc1ccc(N(C)C)cc1C.
What is the InChIKey of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is SPUCDWAHLUQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-11-18(23(3)4)6-5-17(14)13-22-19(24)21-10-8-16-7-9-20-12-15(16)2/h5-7,9,11-12H,8,10,13H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 75389175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).