N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

C22H19FN4O2 — CID 118935485

IUPACN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESNC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccnc1)[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C22H19FN4O2/c23-18-7-1-6-17-16(18)8-9-19(17)27(22(29)15-5-3-11-26-13-15)20(21(24)28)14-4-2-10-25-12-14/h1-7,10-13,19-20H,8-9H2,(H2,24,28)/t19-,20-/m1/s1
InChIKeyYEFUOZZRJYPGBR-WOJBJXKFSA-N
MW390.42 g/mol
LogP2.97
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (PubChem CID 118935485) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
PubChem CID118935485
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESNC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccnc1)[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C22H19FN4O2/c23-18-7-1-6-17-16(18)8-9-19(17)27(22(29)15-5-3-11-26-13-15)20(21(24)28)14-4-2-10-25-12-14/h1-7,10-13,19-20H,8-9H2,(H2,24,28)/t19-,20-/m1/s1
InChIKeyYEFUOZZRJYPGBR-WOJBJXKFSA-N
XLogP2.97
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (CID 118935485) is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccnc1)[C@@H]1CCc2c(F)cccc21.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The InChIKey is YEFUOZZRJYPGBR-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-18-7-1-6-17-16(18)8-9-19(17)27(22(29)15-5-3-11-26-13-15)20(21(24)28)14-4-2-10-25-12-14/h1-7,10-13,19-20H,8-9H2,(H2,24,28)/t19-,20-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118935485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).