N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide

C18H18N4O — CID 5417734

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)15-8-6-13(7-9-15)12-20-21-18(23)16-5-3-4-14-10-11-19-17(14)16/h3-12,19H,1-2H3,(H,21,23)/b20-12-
InChIKeyCTOKMIQHFQQZTC-NDENLUEZSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds4

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide (PubChem CID 5417734) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide
PubChem CID5417734
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)15-8-6-13(7-9-15)12-20-21-18(23)16-5-3-4-14-10-11-19-17(14)16/h3-12,19H,1-2H3,(H,21,23)/b20-12-
InChIKeyCTOKMIQHFQQZTC-NDENLUEZSA-N
XLogP3.00
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

Niraparib
CID 24958200
Indoramin
CID 33625
Indole-5-carboxamide
CID 14973220
CP-409092
CID 9839190
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802
Tryptamide
CID 65768
1H-indole-3-carboxamide
CID 2192542
5-Fluoro CUMYL-PICA
CID 117650397
Indole, 3-(dimethylaminoacetyl)-
CID 34863
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide (CID 5417734) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide is CN(C)c1ccc(/C=N\NC(=O)c2cccc3cc[nH]c23)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide?
The InChIKey is CTOKMIQHFQQZTC-NDENLUEZSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22(2)15-8-6-13(7-9-15)12-20-21-18(23)16-5-3-4-14-10-11-19-17(14)16/h3-12,19H,1-2H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-7-carboxamide is sourced from PubChem (CID 5417734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).