N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C23H34N4O3 — CID 134424154

IUPACN-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCCC/C=C(/O/N=C(\C)N)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C23H34N4O3/c1-5-6-7-20(30-27-15(2)24)23(3,4)26-21(28)19-13-12-18(17-10-11-17)22(25-19)29-14-16-8-9-16/h7,12-13,16-17H,5-6,8-11,14H2,1-4H3,(H2,24,27)(H,26,28)/b20-7+
InChIKeyIYMVJMGFEHVKCH-IFRROFPPSA-N
MW414.55 g/mol
LogP4.25
Rot. Bonds11

About N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 134424154) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID134424154
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCCC/C=C(/O/N=C(\C)N)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C23H34N4O3/c1-5-6-7-20(30-27-15(2)24)23(3,4)26-21(28)19-13-12-18(17-10-11-17)22(25-19)29-14-16-8-9-16/h7,12-13,16-17H,5-6,8-11,14H2,1-4H3,(H2,24,27)(H,26,28)/b20-7+
InChIKeyIYMVJMGFEHVKCH-IFRROFPPSA-N
XLogP4.25
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 148777129
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 71105707
6-(cyclopropylmethoxy)-5-methyl-N-(2-methyl-3-oxopentan-2-yl)pyridine-2-carboxamide
CID 159005952
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
CID 71093563
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087216
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224
(1R)-1-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2,2-dimethyl-N-(methylamino)propan-1-amine oxide
CID 163728943
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 134424154) is N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is CCC/C=C(/O/N=C(\C)N)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is IYMVJMGFEHVKCH-IFRROFPPSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-5-6-7-20(30-27-15(2)24)23(3,4)26-21(28)19-13-12-18(17-10-11-17)22(25-19)29-14-16-8-9-16/h7,12-13,16-17H,5-6,8-11,14H2,1-4H3,(H2,24,27)(H,26,28)/b20-7+.
What are the key properties of N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 134424154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).