6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide

C11H16ClN3O2 — CID 62186020

IUPAC6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-7(2)15(5-6-16)11(17)10-8(12)3-4-9(13)14-10/h3-4,7,16H,5-6H2,1-2H3,(H2,13,14)
InChIKeyDASMAKAABLQTFU-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds4

About 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide

6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 62186020) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID62186020
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-7(2)15(5-6-16)11(17)10-8(12)3-4-9(13)14-10/h3-4,7,16H,5-6H2,1-2H3,(H2,13,14)
InChIKeyDASMAKAABLQTFU-UHFFFAOYSA-N
XLogP1.16
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154764
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
CID 107201186
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-N,N-dibutyl-3-chloropyridine-2-carboxamide
CID 55042068
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62890496
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664231
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 55042057
6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041
3-chloro-6-(ethylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 62169311
6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62161613

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide (CID 62186020) is 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(CCO)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is DASMAKAABLQTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2)15(5-6-16)11(17)10-8(12)3-4-9(13)14-10/h3-4,7,16H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 62186020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).