2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide

C19H25N3O3 — CID 23130801

IUPAC2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCCOCc1ccc(CNC(=O)c2ccc(COC)nc2N)cc1
InChIInChI=1S/C19H25N3O3/c1-3-10-25-12-15-6-4-14(5-7-15)11-21-19(23)17-9-8-16(13-24-2)22-18(17)20/h4-9H,3,10-13H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyAGFJDVFLDSUMGD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.67
Rot. Bonds9

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

2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 23130801) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID23130801
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCCOCc1ccc(CNC(=O)c2ccc(COC)nc2N)cc1
InChIInChI=1S/C19H25N3O3/c1-3-10-25-12-15-6-4-14(5-7-15)11-21-19(23)17-9-8-16(13-24-2)22-18(17)20/h4-9H,3,10-13H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyAGFJDVFLDSUMGD-UHFFFAOYSA-N
XLogP2.67
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-N-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide
CID 66843491
2-amino-N-[[4-[2-(2,2-dimethylpropyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843441
2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843992
2-amino-N-[(3-hept-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843400
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-amino-N-[(2-fluoro-3-hex-5-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176359
2-amino-N-[(2-fluoro-3-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 23130801) is 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide is CCCOCc1ccc(CNC(=O)c2ccc(COC)nc2N)cc1.
What is the InChIKey of 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is AGFJDVFLDSUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-10-25-12-15-6-4-14(5-7-15)11-21-19(23)17-9-8-16(13-24-2)22-18(17)20/h4-9H,3,10-13H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 23130801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).