N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide

C11H17N3O2 — CID 165440833

IUPACN-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C)cnc1N
InChIInChI=1S/C11H17N3O2/c1-7(2)4-10(15)14-8-5-9(16-3)11(12)13-6-8/h5-7H,4H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyQFFJCQASQGEICL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.66
Rot. Bonds4

About N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide

N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide (PubChem CID 165440833) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide
PubChem CID165440833
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C)cnc1N
InChIInChI=1S/C11H17N3O2/c1-7(2)4-10(15)14-8-5-9(16-3)11(12)13-6-8/h5-7H,4H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyQFFJCQASQGEICL-UHFFFAOYSA-N
XLogP1.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide
CID 110203808
N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7834385
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
3-methyl-N-pyrimidin-5-ylbutanamide
CID 130219529
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
dimethyl 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate
CID 694694
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]-3-methylbutanamide
CID 112984074

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide (CID 165440833) is N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide is COc1cc(NC(=O)CC(C)C)cnc1N.
What is the InChIKey of N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide?
The InChIKey is QFFJCQASQGEICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)4-10(15)14-8-5-9(16-3)11(12)13-6-8/h5-7H,4H2,1-3H3,(H2,12,13)(H,14,15).
What are the key properties of N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide?
N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 165440833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).