4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid

C12H16N2O2 — CID 81233057

IUPAC4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NC(C)C2CC2)c(C(=O)O)cn1
InChIInChI=1S/C12H16N2O2/c1-7-5-11(10(6-13-7)12(15)16)14-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHDYROCOHVJELII-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.30
Rot. Bonds4

About 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid

4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233057) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81233057
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NC(C)C2CC2)c(C(=O)O)cn1
InChIInChI=1S/C12H16N2O2/c1-7-5-11(10(6-13-7)12(15)16)14-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHDYROCOHVJELII-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
2-(1-cyclopropylethylamino)-4-methylbenzoic acid
CID 62711831
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81233505
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81244858
4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 81243462
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-[(1,1-dioxothian-4-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233400
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid (CID 81233057) is 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid is Cc1cc(NC(C)C2CC2)c(C(=O)O)cn1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is HDYROCOHVJELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-5-11(10(6-13-7)12(15)16)14-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid?
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).