6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid

C14H15ClN2O3 — CID 63379862

IUPAC6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
SMILESCC(CCc1ccco1)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H15ClN2O3/c1-9(4-5-10-3-2-8-20-10)16-13-11(14(18)19)6-7-12(15)17-13/h2-3,6-9H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyGDVXUHLKNGIFGJ-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.46
Rot. Bonds6

About 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid

6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid (PubChem CID 63379862) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
PubChem CID63379862
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
SMILESCC(CCc1ccco1)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H15ClN2O3/c1-9(4-5-10-3-2-8-20-10)16-13-11(14(18)19)6-7-12(15)17-13/h2-3,6-9H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyGDVXUHLKNGIFGJ-UHFFFAOYSA-N
XLogP3.46
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 63376636
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
2-bromo-3-fluoro-4-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 107540073
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
2-amino-3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 115545393
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
CID 80571184
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
CID 63727965
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid (CID 63379862) is 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid is CC(CCc1ccco1)Nc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid?
The InChIKey is GDVXUHLKNGIFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9(4-5-10-3-2-8-20-10)16-13-11(14(18)19)6-7-12(15)17-13/h2-3,6-9H,4-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid?
6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63379862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).