6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid

C13H17N3O3 — CID 81244789

IUPAC6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(NC2CCC(=O)N(C)C2)c(C(=O)O)cn1
InChIInChI=1S/C13H17N3O3/c1-8-5-11(10(6-14-8)13(18)19)15-9-3-4-12(17)16(2)7-9/h5-6,9H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYWQYGZNCDGNJMR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.12
Rot. Bonds3

About 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid

6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 81244789) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID81244789
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(NC2CCC(=O)N(C)C2)c(C(=O)O)cn1
InChIInChI=1S/C13H17N3O3/c1-8-5-11(10(6-14-8)13(18)19)15-9-3-4-12(17)16(2)7-9/h5-6,9H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYWQYGZNCDGNJMR-UHFFFAOYSA-N
XLogP1.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-[(5-methoxy-2-methyl-4-pyridinyl)amino]-1-methylpiperidin-2-one
CID 106660550
4-[(1,1-dioxothian-4-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233400
4-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64654110
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenecarbothioamide
CID 64669623
3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 112579126
(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 97003688
3-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64655509
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
5-[(5-bromopyrimidin-2-yl)amino]-1-methylpiperidin-2-one
CID 64669594
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568637
methyl 4-amino-3-[(1-methyl-6-oxopiperidin-3-yl)amino]benzoate
CID 82795806

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid (CID 81244789) is 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid is Cc1cc(NC2CCC(=O)N(C)C2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is YWQYGZNCDGNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-5-11(10(6-14-8)13(18)19)15-9-3-4-12(17)16(2)7-9/h5-6,9H,3-4,7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).