2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide

C22H29N3O3 — CID 152720757

IUPAC2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
SMILESCCC=CCCCOc1cccc(NC(=O)c2cc(C)c(COC)nc2N)c1
InChIInChI=1S/C22H29N3O3/c1-4-5-6-7-8-12-28-18-11-9-10-17(14-18)24-22(26)19-13-16(2)20(15-27-3)25-21(19)23/h5-6,9-11,13-14H,4,7-8,12,15H2,1-3H3,(H2,23,25)(H,24,26)
InChIKeyZVOLMTCIZLZBGT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.50
Rot. Bonds10

About 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide

2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide (PubChem CID 152720757) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
PubChem CID152720757
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
SMILESCCC=CCCCOc1cccc(NC(=O)c2cc(C)c(COC)nc2N)c1
InChIInChI=1S/C22H29N3O3/c1-4-5-6-7-8-12-28-18-11-9-10-17(14-18)24-22(26)19-13-16(2)20(15-27-3)25-21(19)23/h5-6,9-11,13-14H,4,7-8,12,15H2,1-3H3,(H2,23,25)(H,24,26)
InChIKeyZVOLMTCIZLZBGT-UHFFFAOYSA-N
XLogP4.50
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
CID 150267514
2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
CID 150489878
5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
CID 120625137
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688696
N-(3-hex-3-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986039
N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733416
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide (CID 152720757) is 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide is CCC=CCCCOc1cccc(NC(=O)c2cc(C)c(COC)nc2N)c1.
What is the InChIKey of 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
The InChIKey is ZVOLMTCIZLZBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-5-6-7-8-12-28-18-11-9-10-17(14-18)24-22(26)19-13-16(2)20(15-27-3)25-21(19)23/h5-6,9-11,13-14H,4,7-8,12,15H2,1-3H3,(H2,23,25)(H,24,26).
What are the key properties of 2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.50, 10 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-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 152720757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).