(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone

C12H16N2O — CID 107925467

IUPAC(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1ccnc(N)c1C(=O)C1CC1(C)C
InChIInChI=1S/C12H16N2O/c1-7-4-5-14-11(13)9(7)10(15)8-6-12(8,2)3/h4-5,8H,6H2,1-3H3,(H2,13,14)
InChIKeyKRUXEWJUNWOHMR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.20
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone

(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107925467) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107925467
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1ccnc(N)c1C(=O)C1CC1(C)C
InChIInChI=1S/C12H16N2O/c1-7-4-5-14-11(13)9(7)10(15)8-6-12(8,2)3/h4-5,8H,6H2,1-3H3,(H2,13,14)
InChIKeyKRUXEWJUNWOHMR-UHFFFAOYSA-N
XLogP2.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone (CID 107925467) is (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone is Cc1ccnc(N)c1C(=O)C1CC1(C)C.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is KRUXEWJUNWOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-4-5-14-11(13)9(7)10(15)8-6-12(8,2)3/h4-5,8H,6H2,1-3H3,(H2,13,14).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 204.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).