2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid

C19H27N3O5 — CID 95075662

IUPAC2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid
SMILESCCCCC(=O)Nc1cnc(N2CCC[C@H](C(=O)OCC)C2)c(C(=O)O)c1
InChIInChI=1S/C19H27N3O5/c1-3-5-8-16(23)21-14-10-15(18(24)25)17(20-11-14)22-9-6-7-13(12-22)19(26)27-4-2/h10-11,13H,3-9,12H2,1-2H3,(H,21,23)(H,24,25)/t13-/m0/s1
InChIKeyCWDFKXWZGVUUJC-ZDUSSCGKSA-N
MW377.44 g/mol
LogP2.69
Rot. Bonds8

About 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid

2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid (PubChem CID 95075662) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid
PubChem CID95075662
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid
SMILESCCCCC(=O)Nc1cnc(N2CCC[C@H](C(=O)OCC)C2)c(C(=O)O)c1
InChIInChI=1S/C19H27N3O5/c1-3-5-8-16(23)21-14-10-15(18(24)25)17(20-11-14)22-9-6-7-13(12-22)19(26)27-4-2/h10-11,13H,3-9,12H2,1-2H3,(H,21,23)(H,24,25)/t13-/m0/s1
InChIKeyCWDFKXWZGVUUJC-ZDUSSCGKSA-N
XLogP2.69
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646
2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094003
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 93055536
5-[(2,4-dimethylphenyl)sulfonylamino]-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 93055555
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 93055549
5-acetamido-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 94083645
5-[(3,5-dimethylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53024663
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-methylbenzoyl)amino]benzoic acid
CID 94083629
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
ethyl 1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidine-3-carboxylate;oxalic acid
CID 171154487
ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
CID 83970370

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid (CID 95075662) is 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid is CCCCC(=O)Nc1cnc(N2CCC[C@H](C(=O)OCC)C2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid?
The InChIKey is CWDFKXWZGVUUJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-3-5-8-16(23)21-14-10-15(18(24)25)17(20-11-14)22-9-6-7-13(12-22)19(26)27-4-2/h10-11,13H,3-9,12H2,1-2H3,(H,21,23)(H,24,25)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid?
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 95075662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).