2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

C14H20N2O2 — CID 113485557

IUPAC2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC2(C)CCC2)n1
InChIInChI=1S/C14H20N2O2/c1-9(2)11-7-10(13(17)18)8-12(15-11)16-14(3)5-4-6-14/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyROHCPYQCUBABTM-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.26
Rot. Bonds4

About 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 113485557) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID113485557
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC2(C)CCC2)n1
InChIInChI=1S/C14H20N2O2/c1-9(2)11-7-10(13(17)18)8-12(15-11)16-14(3)5-4-6-14/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyROHCPYQCUBABTM-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380308
2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114504534
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
CID 114108203
[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358188
2-propan-2-yl-6-(2-prop-2-enylsulfanylethylamino)pyridine-4-carboxylic acid
CID 106429356

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 113485557) is 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(NC2(C)CCC2)n1.
What is the InChIKey of 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is ROHCPYQCUBABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)11-7-10(13(17)18)8-12(15-11)16-14(3)5-4-6-14/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 113485557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).