2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide

C13H20ClN3O2 — CID 114922590

IUPAC2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-9(2)8-17(4-5-19-3)13(18)10-6-12(15)16-7-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16)
InChIKeyLSRXFGDPPSFCTI-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.06
Rot. Bonds6

About 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide

2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114922590) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID114922590
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-9(2)8-17(4-5-19-3)13(18)10-6-12(15)16-7-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16)
InChIKeyLSRXFGDPPSFCTI-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922159
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61107661
6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
5-amino-N-(2-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114924026
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134062538

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 114922590) is 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide is COCCN(CC(C)C)C(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is LSRXFGDPPSFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9(2)8-17(4-5-19-3)13(18)10-6-12(15)16-7-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).