1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea

C20H26N4O — CID 113026734

IUPAC1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
SMILESCc1ccc(CNc2ccc(NC(=O)NC3CCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-15-7-9-16(10-8-15)13-21-18-11-12-19(22-14-18)24-20(25)23-17-5-3-2-4-6-17/h7-12,14,17,21H,2-6,13H2,1H3,(H2,22,23,24,25)
InChIKeyCWSBDYQPZRJKMX-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.46
Rot. Bonds5

About 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea

1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea (PubChem CID 113026734) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
PubChem CID113026734
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
SMILESCc1ccc(CNc2ccc(NC(=O)NC3CCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-15-7-9-16(10-8-15)13-21-18-11-12-19(22-14-18)24-20(25)23-17-5-3-2-4-6-17/h7-12,14,17,21H,2-6,13H2,1H3,(H2,22,23,24,25)
InChIKeyCWSBDYQPZRJKMX-UHFFFAOYSA-N
XLogP4.46
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
CID 106911506
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea (CID 113026734) is 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea is Cc1ccc(CNc2ccc(NC(=O)NC3CCCCC3)nc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea?
The InChIKey is CWSBDYQPZRJKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-7-9-16(10-8-15)13-21-18-11-12-19(22-14-18)24-20(25)23-17-5-3-2-4-6-17/h7-12,14,17,21H,2-6,13H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea?
1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea has a molecular weight of 338.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea is sourced from PubChem (CID 113026734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).