(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone

C12H16N2O — CID 107925462

IUPAC(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1cnc(N)c(C(=O)C2CC2(C)C)c1
InChIInChI=1S/C12H16N2O/c1-7-4-8(11(13)14-6-7)10(15)9-5-12(9,2)3/h4,6,9H,5H2,1-3H3,(H2,13,14)
InChIKeyTYQKHMTWLFDNHB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.20
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone

(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107925462) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107925462
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1cnc(N)c(C(=O)C2CC2(C)C)c1
InChIInChI=1S/C12H16N2O/c1-7-4-8(11(13)14-6-7)10(15)9-5-12(9,2)3/h4,6,9H,5H2,1-3H3,(H2,13,14)
InChIKeyTYQKHMTWLFDNHB-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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Related Compounds

(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone
CID 79658548
2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
CID 130913857
(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910
1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
1-[4-(2-amino-5-methylpyridine-3-carbonyl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 95857772
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925467
[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
CID 116600748

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone (CID 107925462) is (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone is Cc1cnc(N)c(C(=O)C2CC2(C)C)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is TYQKHMTWLFDNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-4-8(11(13)14-6-7)10(15)9-5-12(9,2)3/h4,6,9H,5H2,1-3H3,(H2,13,14).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone?
(2-amino-5-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-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107925462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).