N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide

C14H16ClN5O — CID 137295628

IUPACN-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)N/N=C/c2c(Cl)[nH]c3ccccc23)NN1
InChIInChI=1S/C14H16ClN5O/c1-8-6-12(19-18-8)14(21)20-16-7-10-9-4-2-3-5-11(9)17-13(10)15/h2-5,7-8,12,17-19H,6H2,1H3,(H,20,21)/b16-7+
InChIKeyIJSSINJDFJLCLZ-FRKPEAEDSA-N
MW305.77 g/mol
LogP1.53
Rot. Bonds3

About N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide

N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide (PubChem CID 137295628) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
PubChem CID137295628
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC NameN-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)N/N=C/c2c(Cl)[nH]c3ccccc23)NN1
InChIInChI=1S/C14H16ClN5O/c1-8-6-12(19-18-8)14(21)20-16-7-10-9-4-2-3-5-11(9)17-13(10)15/h2-5,7-8,12,17-19H,6H2,1H3,(H,20,21)/b16-7+
InChIKeyIJSSINJDFJLCLZ-FRKPEAEDSA-N
XLogP1.53
TPSA81.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.53
H-Bond Donors ≤ 54
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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Related Compounds

2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide
CID 136764634
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
CID 137272186
6-tert-butyl-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135644252
3-chloro-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 136689728
N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135648428
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
CID 137295622
(1S,3S)-N-[(2,4-dichlorophenyl)methylideneamino]-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 141400029
3-chloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135559981
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
1-ethylsulfonyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]piperidine-3-carboxamide
CID 135622933
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
1-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 167067071

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide (CID 137295628) is N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide is CC1CC(C(=O)N/N=C/c2c(Cl)[nH]c3ccccc23)NN1.
What is the InChIKey of N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
The InChIKey is IJSSINJDFJLCLZ-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-8-6-12(19-18-8)14(21)20-16-7-10-9-4-2-3-5-11(9)17-13(10)15/h2-5,7-8,12,17-19H,6H2,1H3,(H,20,21)/b16-7+.
What are the key properties of N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 137295628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).