5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide

C14H22ClN3O2 — CID 82960917

IUPAC5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(CCOC)C(C)C)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-5-16-13-12(15)8-11(9-17-13)14(19)18(10(2)3)6-7-20-4/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyGKHQEHXQHJYYML-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.66
Rot. Bonds7

About 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 82960917) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID82960917
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(CCOC)C(C)C)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-5-16-13-12(15)8-11(9-17-13)14(19)18(10(2)3)6-7-20-4/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyGKHQEHXQHJYYML-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62180115
5-chloro-6-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180282
5-chloro-6-hydrazinyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 62242464
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
CID 62175880
5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62170876
5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 107485988
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide (CID 82960917) is 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide is CCNc1ncc(C(=O)N(CCOC)C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GKHQEHXQHJYYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-5-16-13-12(15)8-11(9-17-13)14(19)18(10(2)3)6-7-20-4/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 82960917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).