4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid

C14H22N2O2 — CID 102906568

IUPAC4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)C(CNc1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)12(10(3)4)8-16-11-5-6-15-13(7-11)14(17)18/h5-7,9-10,12H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYNWWMPSYMZXUFU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.12
Rot. Bonds6

About 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid

4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid (PubChem CID 102906568) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
PubChem CID102906568
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)C(CNc1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)12(10(3)4)8-16-11-5-6-15-13(7-11)14(17)18/h5-7,9-10,12H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYNWWMPSYMZXUFU-UHFFFAOYSA-N
XLogP3.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
2-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-4-amine
CID 102915210
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
CID 62523902
2-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzoic acid
CID 102906578
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid (CID 102906568) is 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid is CC(C)C(CNc1ccnc(C(=O)O)c1)C(C)C.
What is the InChIKey of 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is YNWWMPSYMZXUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)12(10(3)4)8-16-11-5-6-15-13(7-11)14(17)18/h5-7,9-10,12H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid?
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 102906568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).