6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide

C16H20N4O — CID 64589399

IUPAC6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
SMILESCCCN(Cc1cccc(N)c1)c1cccc(C(N)=O)n1
InChIInChI=1S/C16H20N4O/c1-2-9-20(11-12-5-3-6-13(17)10-12)15-8-4-7-14(19-15)16(18)21/h3-8,10H,2,9,11,17H2,1H3,(H2,18,21)
InChIKeyCNLZMGMIEHAWGR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.18
Rot. Bonds6

About 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide

6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide (PubChem CID 64589399) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
PubChem CID64589399
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
SMILESCCCN(Cc1cccc(N)c1)c1cccc(C(N)=O)n1
InChIInChI=1S/C16H20N4O/c1-2-9-20(11-12-5-3-6-13(17)10-12)15-8-4-7-14(19-15)16(18)21/h3-8,10H,2,9,11,17H2,1H3,(H2,18,21)
InChIKeyCNLZMGMIEHAWGR-UHFFFAOYSA-N
XLogP2.18
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide (CID 64589399) is 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide is CCCN(Cc1cccc(N)c1)c1cccc(C(N)=O)n1.
What is the InChIKey of 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide?
The InChIKey is CNLZMGMIEHAWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-9-20(11-12-5-3-6-13(17)10-12)15-8-4-7-14(19-15)16(18)21/h3-8,10H,2,9,11,17H2,1H3,(H2,18,21).
What are the key properties of 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide?
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 64589399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).