N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine

C19H21FN4 — CID 166230144

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(NCc3ccc(CN(C)C)c(F)c3)ccnc2n1
InChIInChI=1S/C19H21FN4/c1-13-4-7-16-18(8-9-21-19(16)23-13)22-11-14-5-6-15(12-24(2)3)17(20)10-14/h4-10H,11-12H2,1-3H3,(H,21,22,23)
InChIKeyVTTRJECGNVTGBN-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.75
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine (PubChem CID 166230144) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
PubChem CID166230144
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(NCc3ccc(CN(C)C)c(F)c3)ccnc2n1
InChIInChI=1S/C19H21FN4/c1-13-4-7-16-18(8-9-21-19(16)23-13)22-11-14-5-6-15(12-24(2)3)17(20)10-14/h4-10H,11-12H2,1-3H3,(H,21,22,23)
InChIKeyVTTRJECGNVTGBN-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine (CID 166230144) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine is Cc1ccc2c(NCc3ccc(CN(C)C)c(F)c3)ccnc2n1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine?
The InChIKey is VTTRJECGNVTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-13-4-7-16-18(8-9-21-19(16)23-13)22-11-14-5-6-15(12-24(2)3)17(20)10-14/h4-10H,11-12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine has a molecular weight of 324.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 166230144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).