(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone

C11H15N3O2 — CID 104742252

IUPAC(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
SMILESNc1cccnc1C(=O)N1CCCOCC1
InChIInChI=1S/C11H15N3O2/c12-9-3-1-4-13-10(9)11(15)14-5-2-7-16-8-6-14/h1,3-4H,2,5-8,12H2
InChIKeyKZTPVCBWDZGCNO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.53
Rot. Bonds1

About (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone

(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 104742252) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
PubChem CID104742252
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
SMILESNc1cccnc1C(=O)N1CCCOCC1
InChIInChI=1S/C11H15N3O2/c12-9-3-1-4-13-10(9)11(15)14-5-2-7-16-8-6-14/h1,3-4H,2,5-8,12H2
InChIKeyKZTPVCBWDZGCNO-UHFFFAOYSA-N
XLogP0.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104742371
[4-(3-aminopyridine-2-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 136556893
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(2-hydrazinyl-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969077
1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104742274
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone (CID 104742252) is (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone is Nc1cccnc1C(=O)N1CCCOCC1.
What is the InChIKey of (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is KZTPVCBWDZGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-3-1-4-13-10(9)11(15)14-5-2-7-16-8-6-14/h1,3-4H,2,5-8,12H2.
What are the key properties of (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 104742252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).