6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid

C19H21F3N4O3 — CID 67143126

IUPAC6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC(CC2CCCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)15-11-26(17(27)10-23-15)14(7-12-3-1-2-4-12)9-25-16-6-5-13(8-24-16)18(28)29/h5-6,8,10-12,14H,1-4,7,9H2,(H,24,25)(H,28,29)
InChIKeyHEWVXOONEZPRLB-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.59
Rot. Bonds7

About 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid

6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid (PubChem CID 67143126) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid
PubChem CID67143126
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC(CC2CCCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)15-11-26(17(27)10-23-15)14(7-12-3-1-2-4-12)9-25-16-6-5-13(8-24-16)18(28)29/h5-6,8,10-12,14H,1-4,7,9H2,(H,24,25)(H,28,29)
InChIKeyHEWVXOONEZPRLB-UHFFFAOYSA-N
XLogP3.59
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4488
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Pf-04991532
CID 46181428
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6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
6-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 16090856
2-(Benzylamino)nicotinic acid
CID 214596
6-(Acetylamino)nicotinic acid
CID 419744
6-(Phenylamino)nicotinic acid
CID 2771812
6-(Cyclopentylamino)nicotinic acid
CID 1447952
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid (CID 67143126) is 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NCC(CC2CCCC2)n2cc(C(F)(F)F)ncc2=O)nc1.
What is the InChIKey of 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HEWVXOONEZPRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c20-19(21,22)15-11-26(17(27)10-23-15)14(7-12-3-1-2-4-12)9-25-16-6-5-13(8-24-16)18(28)29/h5-6,8,10-12,14H,1-4,7,9H2,(H,24,25)(H,28,29).
What are the key properties of 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid?
6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid has a molecular weight of 410.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67143126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).