4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid

C12H16N2O2 — CID 43569490

IUPAC4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCC(C1CC1)N(C)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H16N2O2/c1-8(9-3-4-9)14(2)10-5-6-13-11(7-10)12(15)16/h5-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyHKGPUXZCBYFXSG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds4

About 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid

4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 43569490) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID43569490
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCC(C1CC1)N(C)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H16N2O2/c1-8(9-3-4-9)14(2)10-5-6-13-11(7-10)12(15)16/h5-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyHKGPUXZCBYFXSG-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-cyclopropylethyl(methyl)amino]benzoic acid
CID 102822708
4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid
CID 2052732
4-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420571
4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid
CID 82739701
4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
CID 167511421
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid
CID 80516594
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 61452485
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid (CID 43569490) is 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid is CC(C1CC1)N(C)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is HKGPUXZCBYFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(9-3-4-9)14(2)10-5-6-13-11(7-10)12(15)16/h5-9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 43569490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).