N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide

C21H17FN4O — CID 58875315

IUPACN-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccn(Cc2cccc(F)c2)c1)c1ccc2ncccc2n1
InChIInChI=1S/C21H17FN4O/c22-17-4-1-3-15(11-17)13-26-10-8-16(14-26)12-24-21(27)20-7-6-18-19(25-20)5-2-9-23-18/h1-11,14H,12-13H2,(H,24,27)
InChIKeyZNLOTEZIXFBWHJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.55
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide

N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide (PubChem CID 58875315) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide
PubChem CID58875315
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccn(Cc2cccc(F)c2)c1)c1ccc2ncccc2n1
InChIInChI=1S/C21H17FN4O/c22-17-4-1-3-15(11-17)13-26-10-8-16(14-26)12-24-21(27)20-7-6-18-19(25-20)5-2-9-23-18/h1-11,14H,12-13H2,(H,24,27)
InChIKeyZNLOTEZIXFBWHJ-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide (CID 58875315) is N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide is O=C(NCc1ccn(Cc2cccc(F)c2)c1)c1ccc2ncccc2n1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide?
The InChIKey is ZNLOTEZIXFBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-17-4-1-3-15(11-17)13-26-10-8-16(14-26)12-24-21(27)20-7-6-18-19(25-20)5-2-9-23-18/h1-11,14H,12-13H2,(H,24,27).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide?
N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 58875315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).