N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide

C22H22FN3O2 — CID 142580339

IUPACN-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2ccc3c(n2)CCCN3C(=O)C2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)20(27)25-22(11-12-22)19-10-9-18-17(24-19)2-1-13-26(18)21(28)15-3-4-15/h5-10,15H,1-4,11-13H2,(H,25,27)
InChIKeyDMUZXYQKONEBJH-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.33
Rot. Bonds4

About N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide

N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide (PubChem CID 142580339) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide
PubChem CID142580339
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2ccc3c(n2)CCCN3C(=O)C2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)20(27)25-22(11-12-22)19-10-9-18-17(24-19)2-1-13-26(18)21(28)15-3-4-15/h5-10,15H,1-4,11-13H2,(H,25,27)
InChIKeyDMUZXYQKONEBJH-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide (CID 142580339) is N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide is O=C(NC1(c2ccc3c(n2)CCCN3C(=O)C2CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide?
The InChIKey is DMUZXYQKONEBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)20(27)25-22(11-12-22)19-10-9-18-17(24-19)2-1-13-26(18)21(28)15-3-4-15/h5-10,15H,1-4,11-13H2,(H,25,27).
What are the key properties of N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide?
N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide has a molecular weight of 379.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 142580339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).