2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide

C20H23N3O2 — CID 66843557

IUPAC2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCC#CCCOc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C20H23N3O2/c1-2-3-4-5-6-13-25-17-10-7-9-16(14-17)15-23-20(24)18-11-8-12-22-19(18)21/h7-12,14H,2-3,6,13,15H2,1H3,(H2,21,22)(H,23,24)
InChIKeyNTWRCEZOOXDQMR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds7

About 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66843557) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID66843557
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCC#CCCOc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C20H23N3O2/c1-2-3-4-5-6-13-25-17-10-7-9-16(14-17)15-23-20(24)18-11-8-12-22-19(18)21/h7-12,14H,2-3,6,13,15H2,1H3,(H2,21,22)(H,23,24)
InChIKeyNTWRCEZOOXDQMR-UHFFFAOYSA-N
XLogP3.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844654
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
2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843400
2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 87176373
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
(3-hept-3-ynoxyphenyl)methanamine
CID 68777046
2-amino-6-fluoro-N-[(3-hept-6-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 87176329
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide (CID 66843557) is 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide is CCCC#CCCOc1cccc(CNC(=O)c2cccnc2N)c1.
What is the InChIKey of 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NTWRCEZOOXDQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-3-4-5-6-13-25-17-10-7-9-16(14-17)15-23-20(24)18-11-8-12-22-19(18)21/h7-12,14H,2-3,6,13,15H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).