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

C21H17N3O2 — CID 87176373

IUPAC2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESC#Cc1ccccc1Oc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C21H17N3O2/c1-2-16-8-3-4-11-19(16)26-17-9-5-7-15(13-17)14-24-21(25)18-10-6-12-23-20(18)22/h1,3-13H,14H2,(H2,22,23)(H,24,25)
InChIKeyYGYJNDURNYWINE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.37
Rot. Bonds5

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

2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 87176373) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID87176373
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESC#Cc1ccccc1Oc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C21H17N3O2/c1-2-16-8-3-4-11-19(16)26-17-9-5-7-15(13-17)14-24-21(25)18-10-6-12-23-20(18)22/h1,3-13H,14H2,(H2,22,23)(H,24,25)
InChIKeyYGYJNDURNYWINE-UHFFFAOYSA-N
XLogP3.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843557
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-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 87176373) is 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide is C#Cc1ccccc1Oc1cccc(CNC(=O)c2cccnc2N)c1.
What is the InChIKey of 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YGYJNDURNYWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-2-16-8-3-4-11-19(16)26-17-9-5-7-15(13-17)14-24-21(25)18-10-6-12-23-20(18)22/h1,3-13H,14H2,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 87176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).