6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide

C12H18ClN3O3 — CID 55042057

IUPAC6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CCOC)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H18ClN3O3/c1-18-7-5-16(6-8-19-2)12(17)11-9(13)3-4-10(14)15-11/h3-4H,5-8H2,1-2H3,(H2,14,15)
InChIKeyPLKURCXCRCVKKY-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.05
Rot. Bonds7

About 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide

6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 55042057) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID55042057
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CCOC)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H18ClN3O3/c1-18-7-5-16(6-8-19-2)12(17)11-9(13)3-4-10(14)15-11/h3-4H,5-8H2,1-2H3,(H2,14,15)
InChIKeyPLKURCXCRCVKKY-UHFFFAOYSA-N
XLogP1.05
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041
6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
CID 55042068
6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62161613
6-amino-3-chloro-N-ethyl-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62153910
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63290108
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
CID 107201186
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154764
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide (CID 55042057) is 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide is COCCN(CCOC)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is PLKURCXCRCVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-18-7-5-16(6-8-19-2)12(17)11-9(13)3-4-10(14)15-11/h3-4H,5-8H2,1-2H3,(H2,14,15).
What are the key properties of 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide?
6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55042057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).