N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide

C23H25FN4O3 — CID 70930020

IUPACN-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide
SMILESCCCNc1c(Cc2ccc(F)cc2)cnc2c(O)c(C(=O)NC3CC3)c(=O)n(C)c12
InChIInChI=1S/C23H25FN4O3/c1-3-10-25-18-14(11-13-4-6-15(24)7-5-13)12-26-19-20(18)28(2)23(31)17(21(19)29)22(30)27-16-8-9-16/h4-7,12,16,29H,3,8-11H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyFTAQDVRHCWNESB-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.08
Rot. Bonds7

About N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide

N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide (PubChem CID 70930020) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide
PubChem CID70930020
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide
SMILESCCCNc1c(Cc2ccc(F)cc2)cnc2c(O)c(C(=O)NC3CC3)c(=O)n(C)c12
InChIInChI=1S/C23H25FN4O3/c1-3-10-25-18-14(11-13-4-6-15(24)7-5-13)12-26-19-20(18)28(2)23(31)17(21(19)29)22(30)27-16-8-9-16/h4-7,12,16,29H,3,8-11H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyFTAQDVRHCWNESB-UHFFFAOYSA-N
XLogP3.08
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide (CID 70930020) is N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide is CCCNc1c(Cc2ccc(F)cc2)cnc2c(O)c(C(=O)NC3CC3)c(=O)n(C)c12.
What is the InChIKey of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide?
The InChIKey is FTAQDVRHCWNESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-3-10-25-18-14(11-13-4-6-15(24)7-5-13)12-26-19-20(18)28(2)23(31)17(21(19)29)22(30)27-16-8-9-16/h4-7,12,16,29H,3,8-11H2,1-2H3,(H,25,26)(H,27,30).
What are the key properties of N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide?
N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-8-(propylamino)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 70930020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).