1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea

C19H24N4O — CID 113032861

IUPAC1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
SMILESCCc1cccc(CC)c1Nc1ccc(NC(=O)NC2CC2)nc1
InChIInChI=1S/C19H24N4O/c1-3-13-6-5-7-14(4-2)18(13)21-16-10-11-17(20-12-16)23-19(24)22-15-8-9-15/h5-7,10-12,15,21H,3-4,8-9H2,1-2H3,(H2,20,22,23,24)
InChIKeyWHAJZBJRECJZOH-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.23
Rot. Bonds6

About 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea

1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea (PubChem CID 113032861) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
PubChem CID113032861
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
SMILESCCc1cccc(CC)c1Nc1ccc(NC(=O)NC2CC2)nc1
InChIInChI=1S/C19H24N4O/c1-3-13-6-5-7-14(4-2)18(13)21-16-10-11-17(20-12-16)23-19(24)22-15-8-9-15/h5-7,10-12,15,21H,3-4,8-9H2,1-2H3,(H2,20,22,23,24)
InChIKeyWHAJZBJRECJZOH-UHFFFAOYSA-N
XLogP4.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
CID 113034207
1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
CID 113032920
N-cyclopropyl-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109179938
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
1-cyclopropyl-3-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]urea
CID 113025672
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea (CID 113032861) is 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea is CCc1cccc(CC)c1Nc1ccc(NC(=O)NC2CC2)nc1.
What is the InChIKey of 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea?
The InChIKey is WHAJZBJRECJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-13-6-5-7-14(4-2)18(13)21-16-10-11-17(20-12-16)23-19(24)22-15-8-9-15/h5-7,10-12,15,21H,3-4,8-9H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea?
1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea has a molecular weight of 324.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea is sourced from PubChem (CID 113032861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).