N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide

C17H20N4O — CID 109179984

IUPACN-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)NC3CC3)nc2)cc1
InChIInChI=1S/C17H20N4O/c1-21(2)15-8-5-12(6-9-15)19-14-7-10-16(18-11-14)17(22)20-13-3-4-13/h5-11,13,19H,3-4H2,1-2H3,(H,20,22)
InChIKeyJRLNUTJLSKYEHZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.78
Rot. Bonds5

About N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide

N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide (PubChem CID 109179984) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
PubChem CID109179984
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)NC3CC3)nc2)cc1
InChIInChI=1S/C17H20N4O/c1-21(2)15-8-5-12(6-9-15)19-14-7-10-16(18-11-14)17(22)20-13-3-4-13/h5-11,13,19H,3-4H2,1-2H3,(H,20,22)
InChIKeyJRLNUTJLSKYEHZ-UHFFFAOYSA-N
XLogP2.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
N-cyclopropyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109179932
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280
N-cyclopropyl-5-(3-methylanilino)pyridine-2-carboxamide
CID 109179924
6-N-cyclopropyl-2-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109093956
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155
N-cyclohexyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109183016

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide (CID 109179984) is N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide is CN(C)c1ccc(Nc2ccc(C(=O)NC3CC3)nc2)cc1.
What is the InChIKey of N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide?
The InChIKey is JRLNUTJLSKYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21(2)15-8-5-12(6-9-15)19-14-7-10-16(18-11-14)17(22)20-13-3-4-13/h5-11,13,19H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide?
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109179984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).