2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid

C16H25N3O2 — CID 105418612

IUPAC2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C16H25N3O2/c1-11(2)13-8-12(15(20)21)9-14(18-13)17-10-16(19(3)4)6-5-7-16/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)(H,20,21)
InChIKeyDKELDPRVJMVJEH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.80
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 105418612) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID105418612
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C16H25N3O2/c1-11(2)13-8-12(15(20)21)9-14(18-13)17-10-16(19(3)4)6-5-7-16/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)(H,20,21)
InChIKeyDKELDPRVJMVJEH-UHFFFAOYSA-N
XLogP2.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113485557
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 105421023
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
CID 114108203
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83121256
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380308

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 105418612) is 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(NCC2(N(C)C)CCC2)n1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is DKELDPRVJMVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)13-8-12(15(20)21)9-14(18-13)17-10-16(19(3)4)6-5-7-16/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)(H,20,21).
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 291.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 105418612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).