2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

C20H25N3O3 — CID 53094040

IUPAC2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C20H25N3O3/c1-4-10-23(11-5-2)18-17(20(25)26)12-15(13-21-18)22-19(24)16-9-7-6-8-14(16)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyNNBIRYGHYJVYMP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.97
Rot. Bonds8

About 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53094040) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53094040
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C20H25N3O3/c1-4-10-23(11-5-2)18-17(20(25)26)12-15(13-21-18)22-19(24)16-9-7-6-8-14(16)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyNNBIRYGHYJVYMP-UHFFFAOYSA-N
XLogP3.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
CID 53094042
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807457
5-benzamido-2-[bis(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 53094198
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
CID 53093967
2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
2-[butyl(methyl)amino]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093980
2-[butyl(methyl)amino]-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093985
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
5-[(3,5-dimethylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054498

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 53094040) is 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is CCCN(CCC)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)O.
What is the InChIKey of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is NNBIRYGHYJVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-10-23(11-5-2)18-17(20(25)26)12-15(13-21-18)22-19(24)16-9-7-6-8-14(16)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53094040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).