2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide

C19H23N3O2 — CID 66844654

IUPAC2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C/CCOc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C19H23N3O2/c1-2-3-4-5-12-24-16-9-6-8-15(13-16)14-22-19(23)17-10-7-11-21-18(17)20/h3-4,6-11,13H,2,5,12,14H2,1H3,(H2,20,21)(H,22,23)/b4-3+
InChIKeyRYNNYCDFHQFEMZ-ONEGZZNKSA-N
MW325.41 g/mol
LogP3.33
Rot. Bonds8

About 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66844654) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66844654
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C/CCOc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C19H23N3O2/c1-2-3-4-5-12-24-16-9-6-8-15(13-16)14-22-19(23)17-10-7-11-21-18(17)20/h3-4,6-11,13H,2,5,12,14H2,1H3,(H2,20,21)(H,22,23)/b4-3+
InChIKeyRYNNYCDFHQFEMZ-ONEGZZNKSA-N
XLogP3.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66844655
2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843557
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
N-[[3-[(E)-oct-5-enoxy]phenyl]methyl]quinoline-6-carboxamide
CID 68781419
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 87176373
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66844654) is 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide is CC/C=C/CCOc1cccc(CNC(=O)c2cccnc2N)c1.
What is the InChIKey of 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RYNNYCDFHQFEMZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-4-5-12-24-16-9-6-8-15(13-16)14-22-19(23)17-10-7-11-21-18(17)20/h3-4,6-11,13H,2,5,12,14H2,1H3,(H2,20,21)(H,22,23)/b4-3+.
What are the key properties of 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66844654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).