(1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide

C14H16N6O — CID 172977627

IUPAC(1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C)c(N2CCCC2=O)c1
InChIInChI=1S/C14H16N6O/c1-9-4-5-10(18-19-11(8-15)14(16)17)7-12(9)20-6-2-3-13(20)21/h4-5,7,18H,2-3,6H2,1H3,(H3,16,17)/b19-11+
InChIKeyDHGOOHKOCUVKGJ-YBFXNURJSA-N
MW284.32 g/mol
LogP1.35
Rot. Bonds4

About (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide (PubChem CID 172977627) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide
PubChem CID172977627
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C)c(N2CCCC2=O)c1
InChIInChI=1S/C14H16N6O/c1-9-4-5-10(18-19-11(8-15)14(16)17)7-12(9)20-6-2-3-13(20)21/h4-5,7,18H,2-3,6H2,1H3,(H3,16,17)/b19-11+
InChIKeyDHGOOHKOCUVKGJ-YBFXNURJSA-N
XLogP1.35
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-2-imino-N-[[6-(2-oxopiperidin-1-yl)-1,3-benzodioxol-5-yl]amino]ethanimidoyl cyanide
CID 172977279
(1Z)-2-amino-N-[(1-ethyl-2-oxo-3H-indol-5-yl)amino]-2-iminoethanimidoyl cyanide
CID 172977594
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
(1Z)-2-amino-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172978140
(1Z)-2-amino-2-imino-N-[(2-methyl-4-oxo-1H-quinolin-6-yl)amino]ethanimidoyl cyanide
CID 172979925
(1Z)-2-amino-N-[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979643
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-hydroxybenzoic acid
CID 172931575
(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172976196
(1Z)-2-amino-2-imino-N-(4-piperazin-1-ylanilino)ethanimidoyl cyanide
CID 172976456
(1Z)-2-amino-N-[4-(5-chloro-3-methylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977225
(1Z)-2-amino-N-(3-fluoro-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172980256

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide (CID 172977627) is (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(C)c(N2CCCC2=O)c1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide?
The InChIKey is DHGOOHKOCUVKGJ-YBFXNURJSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-4-5-10(18-19-11(8-15)14(16)17)7-12(9)20-6-2-3-13(20)21/h4-5,7,18H,2-3,6H2,1H3,(H3,16,17)/b19-11+.
What are the key properties of (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide has a molecular weight of 284.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172977627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).