(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone

C13H19N3O — CID 104742375

IUPAC(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O/c1-10-6-3-2-4-9-16(10)13(17)12-11(14)7-5-8-15-12/h5,7-8,10H,2-4,6,9,14H2,1H3
InChIKeySDBGTCGUUQUSQQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds1

About (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone

(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone (PubChem CID 104742375) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
PubChem CID104742375
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O/c1-10-6-3-2-4-9-16(10)13(17)12-11(14)7-5-8-15-12/h5,7-8,10H,2-4,6,9,14H2,1H3
InChIKeySDBGTCGUUQUSQQ-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635
[(2R)-2-methylpyrrolidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 123840614
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone (CID 104742375) is (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone is CC1CCCCCN1C(=O)c1ncccc1N.
What is the InChIKey of (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
The InChIKey is SDBGTCGUUQUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-3-2-4-9-16(10)13(17)12-11(14)7-5-8-15-12/h5,7-8,10H,2-4,6,9,14H2,1H3.
What are the key properties of (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone?
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 104742375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).