N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C24H26N6O — CID 166787315

IUPACN-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESC=N/C(=C\c1cc(-c2cncn2C)ccc1C)NC(=O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C24H26N6O/c1-17-6-7-18(21-15-26-16-29(21)3)12-20(17)13-22(25-2)28-24(31)19-8-9-27-23(14-19)30-10-4-5-11-30/h6-9,12-16H,2,4-5,10-11H2,1,3H3,(H,28,31)/b22-13+
InChIKeyQGNHTSNVWMDUTC-LPYMAVHISA-N
MW414.51 g/mol
LogP3.82
Rot. Bonds6

About N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 166787315) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID166787315
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESC=N/C(=C\c1cc(-c2cncn2C)ccc1C)NC(=O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C24H26N6O/c1-17-6-7-18(21-15-26-16-29(21)3)12-20(17)13-22(25-2)28-24(31)19-8-9-27-23(14-19)30-10-4-5-11-30/h6-9,12-16H,2,4-5,10-11H2,1,3H3,(H,28,31)/b22-13+
InChIKeyQGNHTSNVWMDUTC-LPYMAVHISA-N
XLogP3.82
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 166787315) is N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is C=N/C(=C\c1cc(-c2cncn2C)ccc1C)NC(=O)c1ccnc(N2CCCC2)c1.
What is the InChIKey of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is QGNHTSNVWMDUTC-LPYMAVHISA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-6-7-18(21-15-26-16-29(21)3)12-20(17)13-22(25-2)28-24(31)19-8-9-27-23(14-19)30-10-4-5-11-30/h6-9,12-16H,2,4-5,10-11H2,1,3H3,(H,28,31)/b22-13+.
What are the key properties of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(3-methylimidazol-4-yl)phenyl]ethenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 166787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).