ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide

C17H28N4O — CID 170960754

IUPACethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide
SMILESC/N=C/Nc1nc(NC(=O)C2CC2)cc(C(C)C)c1C.CC
InChIInChI=1S/C15H22N4O.C2H6/c1-9(2)12-7-13(19-15(20)11-5-6-11)18-14(10(12)3)17-8-16-4;1-2/h7-9,11H,5-6H2,1-4H3,(H2,16,17,18,19,20);1-2H3
InChIKeyODWMCCLSUZCDRR-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.96
Rot. Bonds5

About ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide

ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170960754) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170960754
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Nameethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide
SMILESC/N=C/Nc1nc(NC(=O)C2CC2)cc(C(C)C)c1C.CC
InChIInChI=1S/C15H22N4O.C2H6/c1-9(2)12-7-13(19-15(20)11-5-6-11)18-14(10(12)3)17-8-16-4;1-2/h7-9,11H,5-6H2,1-4H3,(H2,16,17,18,19,20);1-2H3
InChIKeyODWMCCLSUZCDRR-UHFFFAOYSA-N
XLogP3.96
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide
CID 177346635
N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 177347357
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
N-(6-methylpyrazin-2-yl)cyclopropanecarboxamide
CID 118258313
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127203
N-(4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
CID 115976769
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide (CID 170960754) is ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide is C/N=C/Nc1nc(NC(=O)C2CC2)cc(C(C)C)c1C.CC.
What is the InChIKey of ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ODWMCCLSUZCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.C2H6/c1-9(2)12-7-13(19-15(20)11-5-6-11)18-14(10(12)3)17-8-16-4;1-2/h7-9,11H,5-6H2,1-4H3,(H2,16,17,18,19,20);1-2H3.
What are the key properties of ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide?
ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170960754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).