2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide

C13H20ClN3O2 — CID 62186979

IUPAC2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H20ClN3O2/c1-4-9(2)17(5-6-19-3)13(18)10-7-11(14)16-12(15)8-10/h7-9H,4-6H2,1-3H3,(H2,15,16)
InChIKeyNUTDNOFHESMVTC-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.20
Rot. Bonds6

About 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide

2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 62186979) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID62186979
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H20ClN3O2/c1-4-9(2)17(5-6-19-3)13(18)10-7-11(14)16-12(15)8-10/h7-9H,4-6H2,1-3H3,(H2,15,16)
InChIKeyNUTDNOFHESMVTC-UHFFFAOYSA-N
XLogP2.20
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82960146
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248956
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
N-butan-2-yl-3-chloro-N-(2-methoxyethyl)-4-nitrobenzamide
CID 82778505
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
CID 62160387

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 62186979) is 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide is CCC(C)N(CCOC)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is NUTDNOFHESMVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-9(2)17(5-6-19-3)13(18)10-7-11(14)16-12(15)8-10/h7-9H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide?
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62186979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).