1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea

C19H24N4O — CID 113032920

IUPAC1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
SMILESCC(C)(C)c1ccccc1Nc1ccc(NC(=O)NC2CC2)nc1
InChIInChI=1S/C19H24N4O/c1-19(2,3)15-6-4-5-7-16(15)21-14-10-11-17(20-12-14)23-18(24)22-13-8-9-13/h4-7,10-13,21H,8-9H2,1-3H3,(H2,20,22,23,24)
InChIKeyZEEFUUSPPZMCJS-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.41
Rot. Bonds4

About 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea

1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea (PubChem CID 113032920) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
PubChem CID113032920
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
SMILESCC(C)(C)c1ccccc1Nc1ccc(NC(=O)NC2CC2)nc1
InChIInChI=1S/C19H24N4O/c1-19(2,3)15-6-4-5-7-16(15)21-14-10-11-17(20-12-14)23-18(24)22-13-8-9-13/h4-7,10-13,21H,8-9H2,1-3H3,(H2,20,22,23,24)
InChIKeyZEEFUUSPPZMCJS-UHFFFAOYSA-N
XLogP4.41
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-cyclohexylurea
CID 113018093
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
CID 113032861
1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
CID 113034207
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
CID 109287489
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea (CID 113032920) is 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea is CC(C)(C)c1ccccc1Nc1ccc(NC(=O)NC2CC2)nc1.
What is the InChIKey of 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea?
The InChIKey is ZEEFUUSPPZMCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)15-6-4-5-7-16(15)21-14-10-11-17(20-12-14)23-18(24)22-13-8-9-13/h4-7,10-13,21H,8-9H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea?
1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea has a molecular weight of 324.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 113032920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).