(2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide

C6H10ClN3O — CID 178150946

IUPAC(2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide
SMILESCNC(=O)/C(N)=C/C=C(\N)Cl
InChIInChI=1S/C6H10ClN3O/c1-10-6(11)4(8)2-3-5(7)9/h2-3H,8-9H2,1H3,(H,10,11)/b4-2-,5-3-
InChIKeySLKMYFFNRNSJJS-JVLMNHKTSA-N
MW175.62 g/mol
LogP-0.39
Rot. Bonds2

About (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide

(2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide (PubChem CID 178150946) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide
PubChem CID178150946
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name(2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide
SMILESCNC(=O)/C(N)=C/C=C(\N)Cl
InChIInChI=1S/C6H10ClN3O/c1-10-6(11)4(8)2-3-5(7)9/h2-3H,8-9H2,1H3,(H,10,11)/b4-2-,5-3-
InChIKeySLKMYFFNRNSJJS-JVLMNHKTSA-N
XLogP-0.39
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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3-Amino-5-chloro-1-methylpyridin-2(1H)-one
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(Z)-2-amino-N-methylbut-2-enamide
CID 88561581
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309
N-methyl-2-(methylamino)but-2-enamide
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3-amino-1H-pyridin-2-one;ethane
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(2E)-2-amino-N-methylpenta-2,4-dienamide
CID 132125317

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide (CID 178150946) is (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide is CNC(=O)/C(N)=C/C=C(\N)Cl.
What is the InChIKey of (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide?
The InChIKey is SLKMYFFNRNSJJS-JVLMNHKTSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-10-6(11)4(8)2-3-5(7)9/h2-3H,8-9H2,1H3,(H,10,11)/b4-2-,5-3-.
What are the key properties of (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide?
(2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide has a molecular weight of 175.62 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,5-diamino-5-chloro-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 178150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).