N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide

C14H21N3O3 — CID 172719109

IUPACN-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1cccnc1)C(=O)N(C)CCO
InChIInChI=1S/C14H21N3O3/c1-10(2)12(14(20)17(3)7-8-18)16-13(19)11-5-4-6-15-9-11/h4-6,9-10,12,18H,7-8H2,1-3H3,(H,16,19)
InChIKeyGGMBIDFAZRECAD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.29
Rot. Bonds6

About N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide

N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide (PubChem CID 172719109) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
PubChem CID172719109
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1cccnc1)C(=O)N(C)CCO
InChIInChI=1S/C14H21N3O3/c1-10(2)12(14(20)17(3)7-8-18)16-13(19)11-5-4-6-15-9-11/h4-6,9-10,12,18H,7-8H2,1-3H3,(H,16,19)
InChIKeyGGMBIDFAZRECAD-UHFFFAOYSA-N
XLogP0.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N'-(2-hydroxyethyl)-N'-methylpyridine-3-carbohydrazide
CID 91621752
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119657591
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 110898761
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
4-chloro-N-[(2S)-3-methyl-1-[methyl-[(4-methyl-3-pyridinyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 100631781
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119233010
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119657822

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide (CID 172719109) is N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide is CC(C)C(NC(=O)c1cccnc1)C(=O)N(C)CCO.
What is the InChIKey of N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
The InChIKey is GGMBIDFAZRECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)12(14(20)17(3)7-8-18)16-13(19)11-5-4-6-15-9-11/h4-6,9-10,12,18H,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 172719109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).