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

C22H18ClFN4O2 — CID 118935454

IUPACN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-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)cc(Cl)cc21
InChIInChI=1S/C22H18ClFN4O2/c23-15-9-17-16(18(24)10-15)5-6-19(17)28(22(30)14-4-2-8-27-12-14)20(21(25)29)13-3-1-7-26-11-13/h1-4,7-12,19-20H,5-6H2,(H2,25,29)/t19-,20-/m1/s1
InChIKeyNPTLSPDPXWZIIP-WOJBJXKFSA-N
MW424.86 g/mol
LogP3.63
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]pyridine-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]pyridine-3-carboxamide (PubChem CID 118935454) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 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]pyridine-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]pyridine-3-carboxamide
PubChem CID118935454
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-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)cc(Cl)cc21
InChIInChI=1S/C22H18ClFN4O2/c23-15-9-17-16(18(24)10-15)5-6-19(17)28(22(30)14-4-2-8-27-12-14)20(21(25)29)13-3-1-7-26-11-13/h1-4,7-12,19-20H,5-6H2,(H2,25,29)/t19-,20-/m1/s1
InChIKeyNPTLSPDPXWZIIP-WOJBJXKFSA-N
XLogP3.63
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 53.63
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]pyridine-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]pyridine-3-carboxamide (CID 118935454) is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-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)-6-chloro-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)-6-chloro-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)cc(Cl)cc21.
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]pyridine-3-carboxamide?
The InChIKey is NPTLSPDPXWZIIP-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c23-15-9-17-16(18(24)10-15)5-6-19(17)28(22(30)14-4-2-8-27-12-14)20(21(25)29)13-3-1-7-26-11-13/h1-4,7-12,19-20H,5-6H2,(H2,25,29)/t19-,20-/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]pyridine-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]pyridine-3-carboxamide has a molecular weight of 424.86 g/mol, XLogP of 3.63, 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]pyridine-3-carboxamide is sourced from PubChem (CID 118935454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).