N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C24H25N5O3 — CID 89184659

IUPACN-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESC=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2cnc(NC(=O)c3cnccc3C)cn2)c1
InChIInChI=1S/C24H25N5O3/c1-5-18-6-7-19(31-16(3)10-17(4)32-25)11-20(18)22-13-28-23(14-27-22)29-24(30)21-12-26-9-8-15(21)2/h6-14H,3,5,25H2,1-2,4H3,(H,28,29,30)/b17-10-
InChIKeyMZYFVPGNPSELIR-YVLHZVERSA-N
MW431.50 g/mol
LogP4.35
Rot. Bonds8

About N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 89184659) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID89184659
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESC=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2cnc(NC(=O)c3cnccc3C)cn2)c1
InChIInChI=1S/C24H25N5O3/c1-5-18-6-7-19(31-16(3)10-17(4)32-25)11-20(18)22-13-28-23(14-27-22)29-24(30)21-12-26-9-8-15(21)2/h6-14H,3,5,25H2,1-2,4H3,(H,28,29,30)/b17-10-
InChIKeyMZYFVPGNPSELIR-YVLHZVERSA-N
XLogP4.35
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-ethyl-5-methoxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 126722767
N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 70978019
4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 70979582
N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 71010141
N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 71010107
N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 71010092
N-[5-[2-ethoxy-5-(1-imino-3-methyliminopropan-2-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 123242028
4-methyl-N-[5-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 71010177
N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 71010081
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70323331

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 89184659) is N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is C=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2cnc(NC(=O)c3cnccc3C)cn2)c1.
What is the InChIKey of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is MZYFVPGNPSELIR-YVLHZVERSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-5-18-6-7-19(31-16(3)10-17(4)32-25)11-20(18)22-13-28-23(14-27-22)29-24(30)21-12-26-9-8-15(21)2/h6-14H,3,5,25H2,1-2,4H3,(H,28,29,30)/b17-10-.
What are the key properties of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 89184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).