N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide

About N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide

N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 168984360) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide
PubChem CID	168984360
Molecular Formula	C26H29FN6O2
Molecular Weight	476.56 g/mol
Exact Mass	476.23
IUPAC Name	N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide
SMILES	CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)[C@@H]4CC[C@@H]43)cc2[nH]c1=O
InChI	InChI=1S/C26H29FN6O2/c1-2-16-12-19-20(31-25(16)34)11-15(13-28-19)14-32-9-10-33(22-8-7-21(22)32)23-6-5-18(30-24(23)27)26(35)29-17-3-4-17/h5-6,11-13,17,21-22H,2-4,7-10,14H2,1H3,(H,29,35)(H,31,34)/t21-,22+/m0/s1
InChIKey	RUWUHNXPECJPTA-FCHUYYIVSA-N
XLogP	2.77
TPSA	94.22 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide (CID 168984360) is N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)[C@@H]4CC[C@@H]43)cc2[nH]c1=O.

What is the InChIKey of N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide?

The InChIKey is RUWUHNXPECJPTA-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-2-16-12-19-20(31-25(16)34)11-15(13-28-19)14-32-9-10-33(22-8-7-21(22)32)23-6-5-18(30-24(23)27)26(35)29-17-3-4-17/h5-6,11-13,17,21-22H,2-4,7-10,14H2,1H3,(H,29,35)(H,31,34)/t21-,22+/m0/s1.

What are the key properties of N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide?

N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 168984360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).