N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide

C23H20N4O — CID 6887696

IUPACN-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cn1
InChIInChI=1S/C23H20N4O/c1-17-11-12-19(13-24-17)23(28)26-25-14-20-16-27(15-18-7-3-2-4-8-18)22-10-6-5-9-21(20)22/h2-14,16H,15H2,1H3,(H,26,28)/b25-14+
InChIKeyDWNYOOQOOHMTDY-AFUMVMLFSA-N
MW368.44 g/mol
LogP4.16
Rot. Bonds5

About N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 6887696) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID6887696
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cn1
InChIInChI=1S/C23H20N4O/c1-17-11-12-19(13-24-17)23(28)26-25-14-20-16-27(15-18-7-3-2-4-8-18)22-10-6-5-9-21(20)22/h2-14,16H,15H2,1H3,(H,26,28)/b25-14+
InChIKeyDWNYOOQOOHMTDY-AFUMVMLFSA-N
XLogP4.16
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 6887696) is N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cn1.
What is the InChIKey of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is DWNYOOQOOHMTDY-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-11-12-19(13-24-17)23(28)26-25-14-20-16-27(15-18-7-3-2-4-8-18)22-10-6-5-9-21(20)22/h2-14,16H,15H2,1H3,(H,26,28)/b25-14+.
What are the key properties of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6887696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).