4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide

C17H14Cl3N5O — CID 4320116

IUPAC4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESCCc1cccc2c(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c[nH]c12
InChIInChI=1S/C17H14Cl3N5O/c1-2-8-4-3-5-10-9(6-22-14(8)10)7-23-25-17(26)15-11(18)13(21)12(19)16(20)24-15/h3-7,22H,2H2,1H3,(H2,21,24)(H,25,26)
InChIKeyGCASQYHQKWNZJK-UHFFFAOYSA-N
MW410.69 g/mol
LogP4.43
Rot. Bonds4

About 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 4320116) has the molecular formula C17H14Cl3N5O and a molecular weight of 410.69 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID4320116
Molecular FormulaC17H14Cl3N5O
Molecular Weight410.69 g/mol
Exact Mass409.03
IUPAC Name4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESCCc1cccc2c(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c[nH]c12
InChIInChI=1S/C17H14Cl3N5O/c1-2-8-4-3-5-10-9(6-22-14(8)10)7-23-25-17(26)15-11(18)13(21)12(19)16(20)24-15/h3-7,22H,2H2,1H3,(H2,21,24)(H,25,26)
InChIKeyGCASQYHQKWNZJK-UHFFFAOYSA-N
XLogP4.43
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.69
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
CID 2091351
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2710539
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135715970
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
2-[2-[[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 2693544
4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135719888

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide (CID 4320116) is 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide is CCc1cccc2c(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c[nH]c12.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is GCASQYHQKWNZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N5O/c1-2-8-4-3-5-10-9(6-22-14(8)10)7-23-25-17(26)15-11(18)13(21)12(19)16(20)24-15/h3-7,22H,2H2,1H3,(H2,21,24)(H,25,26).
What are the key properties of 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 410.69 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 4320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).