N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine

C22H19F2N3O — CID 174904215

IUPACN-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine
SMILESFc1ccc(CNc2ccc3c(n2)=CN(OCc2ccccc2)CC=3)cc1F
InChIInChI=1S/C22H19F2N3O/c23-19-8-6-17(12-20(19)24)13-25-22-9-7-18-10-11-27(14-21(18)26-22)28-15-16-4-2-1-3-5-16/h1-10,12,14H,11,13,15H2,(H,25,26)
InChIKeyYFYQTJVXASPPMX-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.94
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine

N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine (PubChem CID 174904215) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine
PubChem CID174904215
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine
SMILESFc1ccc(CNc2ccc3c(n2)=CN(OCc2ccccc2)CC=3)cc1F
InChIInChI=1S/C22H19F2N3O/c23-19-8-6-17(12-20(19)24)13-25-22-9-7-18-10-11-27(14-21(18)26-22)28-15-16-4-2-1-3-5-16/h1-10,12,14H,11,13,15H2,(H,25,26)
InChIKeyYFYQTJVXASPPMX-UHFFFAOYSA-N
XLogP2.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine (CID 174904215) is N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine is Fc1ccc(CNc2ccc3c(n2)=CN(OCc2ccccc2)CC=3)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine?
The InChIKey is YFYQTJVXASPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c23-19-8-6-17(12-20(19)24)13-25-22-9-7-18-10-11-27(14-21(18)26-22)28-15-16-4-2-1-3-5-16/h1-10,12,14H,11,13,15H2,(H,25,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine?
N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine has a molecular weight of 379.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine is sourced from PubChem (CID 174904215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).