N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide

C16H22N2O2 — CID 142886716

IUPACN-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide
SMILESC/C=C(\C/C=C\C(C)C)Oc1ccnc(C(=O)NC)c1
InChIInChI=1S/C16H22N2O2/c1-5-13(8-6-7-12(2)3)20-14-9-10-18-15(11-14)16(19)17-4/h5-7,9-12H,8H2,1-4H3,(H,17,19)/b7-6-,13-5+
InChIKeyAEFVEPDXDPROPD-ZQNRWWJISA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds6

About N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide

N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide (PubChem CID 142886716) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide
PubChem CID142886716
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide
SMILESC/C=C(\C/C=C\C(C)C)Oc1ccnc(C(=O)NC)c1
InChIInChI=1S/C16H22N2O2/c1-5-13(8-6-7-12(2)3)20-14-9-10-18-15(11-14)16(19)17-4/h5-7,9-12H,8H2,1-4H3,(H,17,19)/b7-6-,13-5+
InChIKeyAEFVEPDXDPROPD-ZQNRWWJISA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-4-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]oxypyridine-2-carboxamide
CID 142886721
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
CID 142264154
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 168541218
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 123648832
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide (CID 142886716) is N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide is C/C=C(\C/C=C\C(C)C)Oc1ccnc(C(=O)NC)c1.
What is the InChIKey of N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide?
The InChIKey is AEFVEPDXDPROPD-ZQNRWWJISA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-13(8-6-7-12(2)3)20-14-9-10-18-15(11-14)16(19)17-4/h5-7,9-12H,8H2,1-4H3,(H,17,19)/b7-6-,13-5+.
What are the key properties of N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide?
N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2E,5Z)-7-methylocta-2,5-dien-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 142886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).