N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide

C12H17N3O3 — CID 54986422

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1ncccc1O
InChIInChI=1S/C12H17N3O3/c1-3-13-10(17)8-15(4-2)12(18)11-9(16)6-5-7-14-11/h5-7,16H,3-4,8H2,1-2H3,(H,13,17)
InChIKeyHXJZYISHIRQZQI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.39
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 54986422) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
PubChem CID54986422
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1ncccc1O
InChIInChI=1S/C12H17N3O3/c1-3-13-10(17)8-15(4-2)12(18)11-9(16)6-5-7-14-11/h5-7,16H,3-4,8H2,1-2H3,(H,13,17)
InChIKeyHXJZYISHIRQZQI-UHFFFAOYSA-N
XLogP0.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
N-(cyclopropylmethyl)-N-ethyl-3-hydroxypyridine-2-carboxamide
CID 63955616
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide
CID 126772682
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32567639
6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 55052683
2-[(3-chloro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 133382755
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide (CID 54986422) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide is CCNC(=O)CN(CC)C(=O)c1ncccc1O.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is HXJZYISHIRQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-13-10(17)8-15(4-2)12(18)11-9(16)6-5-7-14-11/h5-7,16H,3-4,8H2,1-2H3,(H,13,17).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 54986422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).