N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

C23H20ClFN4O2 — CID 87055291

IUPACN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccnc1
InChIInChI=1S/C23H20ClFN4O2/c1-13-16(5-3-9-28-13)23(31)29(21(22(26)30)14-4-2-8-27-12-14)20-7-6-17-18(20)10-15(24)11-19(17)25/h2-5,8-12,20-21H,6-7H2,1H3,(H2,26,30)/t20-,21-/m1/s1
InChIKeyHCGAVAPYEACYIJ-NHCUHLMSSA-N
MW438.89 g/mol
LogP3.93
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (PubChem CID 87055291) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
PubChem CID87055291
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccnc1
InChIInChI=1S/C23H20ClFN4O2/c1-13-16(5-3-9-28-13)23(31)29(21(22(26)30)14-4-2-8-27-12-14)20-7-6-17-18(20)10-15(24)11-19(17)25/h2-5,8-12,20-21H,6-7H2,1H3,(H2,26,30)/t20-,21-/m1/s1
InChIKeyHCGAVAPYEACYIJ-NHCUHLMSSA-N
XLogP3.93
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.93
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)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (CID 87055291) is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccnc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is HCGAVAPYEACYIJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-13-16(5-3-9-28-13)23(31)29(21(22(26)30)14-4-2-8-27-12-14)20-7-6-17-18(20)10-15(24)11-19(17)25/h2-5,8-12,20-21H,6-7H2,1H3,(H2,26,30)/t20-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 3.93, 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)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 87055291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).