7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

C26H28FN5O4 — CID 59799198

IUPAC7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)CC#N)cc2n(C)c1=O
InChIInChI=1S/C26H28FN5O4/c1-4-10-29-25(35)22-24(34)23-20(32(3)26(22)36)13-16(15-30-23)12-17-5-7-19(27)14-18(17)6-8-21(33)31(2)11-9-28/h5,7,13-15,34H,4,6,8,10-12H2,1-3H3,(H,29,35)
InChIKeyMRUKJLQMQAUULY-UHFFFAOYSA-N
MW493.54 g/mol
LogP2.42
Rot. Bonds9

About 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (PubChem CID 59799198) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
PubChem CID59799198
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC Name7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)CC#N)cc2n(C)c1=O
InChIInChI=1S/C26H28FN5O4/c1-4-10-29-25(35)22-24(34)23-20(32(3)26(22)36)13-16(15-30-23)12-17-5-7-19(27)14-18(17)6-8-21(33)31(2)11-9-28/h5,7,13-15,34H,4,6,8,10-12H2,1-3H3,(H,29,35)
InChIKeyMRUKJLQMQAUULY-UHFFFAOYSA-N
XLogP2.42
TPSA128.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (CID 59799198) is 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)CC#N)cc2n(C)c1=O.
What is the InChIKey of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The InChIKey is MRUKJLQMQAUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-4-10-29-25(35)22-24(34)23-20(32(3)26(22)36)13-16(15-30-23)12-17-5-7-19(27)14-18(17)6-8-21(33)31(2)11-9-28/h5,7,13-15,34H,4,6,8,10-12H2,1-3H3,(H,29,35).
What are the key properties of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 59799198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).