2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide

C25H21N5O3 — CID 25061912

IUPAC2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc(CNCC#N)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H21N5O3/c1-33-24-22(25(31)30-32)20-15-27-12-10-21(20)29-23(24)19-8-6-18(7-9-19)17-4-2-16(3-5-17)14-28-13-11-26/h2-10,12,15,28,32H,13-14H2,1H3,(H,30,31)
InChIKeyFHHCUSFNXUJDIC-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.70
Rot. Bonds7

About 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide

2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide (PubChem CID 25061912) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
PubChem CID25061912
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc(CNCC#N)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H21N5O3/c1-33-24-22(25(31)30-32)20-15-27-12-10-21(20)29-23(24)19-8-6-18(7-9-19)17-4-2-16(3-5-17)14-28-13-11-26/h2-10,12,15,28,32H,13-14H2,1H3,(H,30,31)
InChIKeyFHHCUSFNXUJDIC-UHFFFAOYSA-N
XLogP3.70
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059854
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465274
N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25062460
N-hydroxy-2-[4-[4-(4-hydroxypiperidin-1-yl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059852
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
[(2R)-2-hydroxycyclopropyl]-[3-methoxy-2-[4-(4-methylsulfanylphenyl)phenyl]-1,6-naphthyridin-4-yl]methanone
CID 145465439
N-hydroxy-3-methoxy-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-6-oxido-1,6-naphthyridin-6-ium-4-carboxamide
CID 151656314
1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
CID 145464823
butane;1-[2-[4-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-1-ynyl]phenyl]-3-methoxy-1,6-naphthyridin-4-yl]ethanone;ethane
CID 145465402
N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide
CID 140531572
methyl 7-cyanoisoquinoline-8-carboxylate
CID 154280652
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide (CID 25061912) is 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide is COc1c(-c2ccc(-c3ccc(CNCC#N)cc3)cc2)nc2ccncc2c1C(=O)NO.
What is the InChIKey of 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide?
The InChIKey is FHHCUSFNXUJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-33-24-22(25(31)30-32)20-15-27-12-10-21(20)29-23(24)19-8-6-18(7-9-19)17-4-2-16(3-5-17)14-28-13-11-26/h2-10,12,15,28,32H,13-14H2,1H3,(H,30,31).
What are the key properties of 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide?
2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 25061912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).