2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide

C22H27N3O3 — CID 66843400

IUPAC2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCCC#CCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1
InChIInChI=1S/C22H27N3O3/c1-3-4-5-6-7-13-28-19-10-8-9-17(14-19)15-24-22(26)20-12-11-18(16-27-2)25-21(20)23/h8-12,14H,3,6-7,13,15-16H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyWAWJRIVIVQEGMF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.31
Rot. Bonds9

About 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide

2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 66843400) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
PubChem CID66843400
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCCC#CCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1
InChIInChI=1S/C22H27N3O3/c1-3-4-5-6-7-13-28-19-10-8-9-17(14-19)15-24-22(26)20-12-11-18(16-27-2)25-21(20)23/h8-12,14H,3,6-7,13,15-16H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyWAWJRIVIVQEGMF-UHFFFAOYSA-N
XLogP3.31
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843557
2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 23130801
2-amino-6-fluoro-N-[(3-hept-6-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 87176329
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-N-[(2-fluoro-3-hex-5-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176359
2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide
CID 66843491
2-amino-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844654
2-amino-N-[(3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66844655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide (CID 66843400) is 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide is CCC#CCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1.
What is the InChIKey of 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is WAWJRIVIVQEGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-4-5-6-7-13-28-19-10-8-9-17(14-19)15-24-22(26)20-12-11-18(16-27-2)25-21(20)23/h8-12,14H,3,6-7,13,15-16H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66843400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).