1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea

C19H24N4O — CID 113018035

IUPAC1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
SMILESCc1cccc(C(C)C)c1Nc1ccc(NC(=O)NC2CC2)cn1
InChIInChI=1S/C19H24N4O/c1-12(2)16-6-4-5-13(3)18(16)23-17-10-9-15(11-20-17)22-19(24)21-14-7-8-14/h4-6,9-12,14H,7-8H2,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyHATVSIFWDGSOQU-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.54
Rot. Bonds5

About 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea

1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea (PubChem CID 113018035) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
PubChem CID113018035
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
SMILESCc1cccc(C(C)C)c1Nc1ccc(NC(=O)NC2CC2)cn1
InChIInChI=1S/C19H24N4O/c1-12(2)16-6-4-5-13(3)18(16)23-17-10-9-15(11-20-17)22-19(24)21-14-7-8-14/h4-6,9-12,14H,7-8H2,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyHATVSIFWDGSOQU-UHFFFAOYSA-N
XLogP4.54
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109249626
5-bromo-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 63463659
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 66234324

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea (CID 113018035) is 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea is Cc1cccc(C(C)C)c1Nc1ccc(NC(=O)NC2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea?
The InChIKey is HATVSIFWDGSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12(2)16-6-4-5-13(3)18(16)23-17-10-9-15(11-20-17)22-19(24)21-14-7-8-14/h4-6,9-12,14H,7-8H2,1-3H3,(H,20,23)(H2,21,22,24).
What are the key properties of 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea?
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea has a molecular weight of 324.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea is sourced from PubChem (CID 113018035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).