(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone

C10H12N2O2 — CID 116576579

IUPAC(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)C2(N)CC2)c1
InChIInChI=1S/C10H12N2O2/c1-14-8-4-7(5-12-6-8)9(13)10(11)2-3-10/h4-6H,2-3,11H2,1H3
InChIKeyRTEONPZVVNTBOH-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.76
Rot. Bonds3

About (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone

(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 116576579) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID116576579
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)C2(N)CC2)c1
InChIInChI=1S/C10H12N2O2/c1-14-8-4-7(5-12-6-8)9(13)10(11)2-3-10/h4-6H,2-3,11H2,1H3
InChIKeyRTEONPZVVNTBOH-UHFFFAOYSA-N
XLogP0.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-(5-methyl-3-pyridinyl)methanone
CID 116558812
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 116608155
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793463
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
CID 116609044
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone (CID 116576579) is (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)C2(N)CC2)c1.
What is the InChIKey of (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is RTEONPZVVNTBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-8-4-7(5-12-6-8)9(13)10(11)2-3-10/h4-6H,2-3,11H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone?
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116576579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).