3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide

C15H18N4O — CID 104741972

IUPAC3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H18N4O/c1-19(2)12-7-5-11(6-8-12)10-18-15(20)14-13(16)4-3-9-17-14/h3-9H,10,16H2,1-2H3,(H,18,20)
InChIKeyZCQJGKFRODCLFF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide

3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 104741972) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
PubChem CID104741972
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H18N4O/c1-19(2)12-7-5-11(6-8-12)10-18-15(20)14-13(16)4-3-9-17-14/h3-9H,10,16H2,1-2H3,(H,18,20)
InChIKeyZCQJGKFRODCLFF-UHFFFAOYSA-N
XLogP1.66
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide (CID 104741972) is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide is CN(C)c1ccc(CNC(=O)c2ncccc2N)cc1.
What is the InChIKey of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is ZCQJGKFRODCLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)12-7-5-11(6-8-12)10-18-15(20)14-13(16)4-3-9-17-14/h3-9H,10,16H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide?
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).