N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide

C10H9Cl2N3O — CID 45276044

IUPACN-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide
SMILESC/C=C/C=N/NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2N3O/c1-2-3-6-13-15-10(16)9-7(11)4-5-8(12)14-9/h2-6H,1H3,(H,15,16)/b3-2+,13-6+
InChIKeyVIGOCRNSYVLJIF-VGOJYEASSA-N
MW258.11 g/mol
LogP2.68
Rot. Bonds3

About N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide

N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide (PubChem CID 45276044) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide
PubChem CID45276044
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide
SMILESC/C=C/C=N/NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2N3O/c1-2-3-6-13-15-10(16)9-7(11)4-5-8(12)14-9/h2-6H,1H3,(H,15,16)/b3-2+,13-6+
InChIKeyVIGOCRNSYVLJIF-VGOJYEASSA-N
XLogP2.68
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide
CID 6246677
N-(but-2-enylideneamino)-3,4-dichlorobenzamide
CID 6842493
3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135883335
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide (CID 45276044) is N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide is C/C=C/C=N/NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide?
The InChIKey is VIGOCRNSYVLJIF-VGOJYEASSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-2-3-6-13-15-10(16)9-7(11)4-5-8(12)14-9/h2-6H,1H3,(H,15,16)/b3-2+,13-6+.
What are the key properties of N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide?
N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide has a molecular weight of 258.11 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 45276044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).