N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide

C12H16Cl2N2O — CID 43274566

IUPACN-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-4-8(3)16(5-2)12(17)9-6-10(13)11(14)15-7-9/h6-8H,4-5H2,1-3H3
InChIKeyPSDUAIKMIQCEMU-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.65
Rot. Bonds4

About N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide

N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide (PubChem CID 43274566) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
PubChem CID43274566
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-4-8(3)16(5-2)12(17)9-6-10(13)11(14)15-7-9/h6-8H,4-5H2,1-3H3
InChIKeyPSDUAIKMIQCEMU-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62243923
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
5,6-dichloro-N-(cyanomethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 103758627
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
CID 120529873
5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 103191193
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101
5-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62180115
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide (CID 43274566) is N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide is CCC(C)N(CC)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide?
The InChIKey is PSDUAIKMIQCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-4-8(3)16(5-2)12(17)9-6-10(13)11(14)15-7-9/h6-8H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide?
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide has a molecular weight of 275.18 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 43274566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).