N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide

C21H27FN6O — CID 146611848

IUPACN-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide
SMILESCN(/C=C\N(C=O)C1CCNCC1)c1ccnc2ccc(N3CCC(F)C3)nc12
InChIInChI=1S/C21H27FN6O/c1-26(12-13-28(15-29)17-4-8-23-9-5-17)19-6-10-24-18-2-3-20(25-21(18)19)27-11-7-16(22)14-27/h2-3,6,10,12-13,15-17,23H,4-5,7-9,11,14H2,1H3/b13-12-
InChIKeyAUEAQLIKPJXGBE-SEYXRHQNSA-N
MW398.49 g/mol
LogP2.30
Rot. Bonds6

About N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide

N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide (PubChem CID 146611848) has the molecular formula C21H27FN6O and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide.

Molecular Properties

Compound NameN-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide
PubChem CID146611848
Molecular FormulaC21H27FN6O
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC NameN-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide
SMILESCN(/C=C\N(C=O)C1CCNCC1)c1ccnc2ccc(N3CCC(F)C3)nc12
InChIInChI=1S/C21H27FN6O/c1-26(12-13-28(15-29)17-4-8-23-9-5-17)19-6-10-24-18-2-3-20(25-21(18)19)27-11-7-16(22)14-27/h2-3,6,10,12-13,15-17,23H,4-5,7-9,11,14H2,1H3/b13-12-
InChIKeyAUEAQLIKPJXGBE-SEYXRHQNSA-N
XLogP2.30
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide?
The IUPAC name of N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide (CID 146611848) is N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide.
What is the SMILES notation for N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide?
The canonical SMILES for N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide is CN(/C=C\N(C=O)C1CCNCC1)c1ccnc2ccc(N3CCC(F)C3)nc12.
What is the InChIKey of N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide?
The InChIKey is AUEAQLIKPJXGBE-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H27FN6O/c1-26(12-13-28(15-29)17-4-8-23-9-5-17)19-6-10-24-18-2-3-20(25-21(18)19)27-11-7-16(22)14-27/h2-3,6,10,12-13,15-17,23H,4-5,7-9,11,14H2,1H3/b13-12-.
What are the key properties of N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide?
N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide has a molecular weight of 398.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[[6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-methylamino]ethenyl]-N-piperidin-4-ylformamide is sourced from PubChem (CID 146611848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).