5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C14H17N3O3 — CID 106315685

IUPAC5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1=CCCN(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H17N3O3/c1-10-3-2-6-17(9-10)14(20)16-8-11-4-5-12(13(18)19)15-7-11/h3-5,7H,2,6,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyFJZUQFDAVNKTEU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds3

About 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106315685) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106315685
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1=CCCN(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H17N3O3/c1-10-3-2-6-17(9-10)14(20)16-8-11-4-5-12(13(18)19)15-7-11/h3-5,7H,2,6,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyFJZUQFDAVNKTEU-UHFFFAOYSA-N
XLogP1.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931
5-[(1,4-diazepane-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81095292
5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095740
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106315688
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81096017
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide
CID 164656251

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 106315685) is 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid is CC1=CCCN(C(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is FJZUQFDAVNKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-3-2-6-17(9-10)14(20)16-8-11-4-5-12(13(18)19)15-7-11/h3-5,7H,2,6,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106315685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).