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

C27H23N3O4 — CID 25059854

IUPACN-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(C#Cc3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C27H23N3O4/c1-34-26-24(27(32)30-33)22-17-28-15-14-23(22)29-25(26)21-12-10-20(11-13-21)9-8-19-6-4-18(5-7-19)3-2-16-31/h4-7,10-15,17,31,33H,2-3,16H2,1H3,(H,30,32)
InChIKeyPWSBIWAFFKYYPA-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.75
Rot. Bonds6

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

N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide (PubChem CID 25059854) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
PubChem CID25059854
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(C#Cc3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C27H23N3O4/c1-34-26-24(27(32)30-33)22-17-28-15-14-23(22)29-25(26)21-12-10-20(11-13-21)9-8-19-6-4-18(5-7-19)3-2-16-31/h4-7,10-15,17,31,33H,2-3,16H2,1H3,(H,30,32)
InChIKeyPWSBIWAFFKYYPA-UHFFFAOYSA-N
XLogP3.75
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
CID 143948799
2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25061912
N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
CID 145465486
(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-3-methoxy-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-6-oxido-1,6-naphthyridin-6-ium-4-carboxamide
CID 151656314
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
[(2R)-2-hydroxycyclopropyl]-[3-methoxy-2-[4-(4-methylsulfanylphenyl)phenyl]-1,6-naphthyridin-4-yl]methanone
CID 145465439
1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
CID 145464823
N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562789

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide (CID 25059854) is N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide is COc1c(-c2ccc(C#Cc3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO.
What is the InChIKey of N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The InChIKey is PWSBIWAFFKYYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-34-26-24(27(32)30-33)22-17-28-15-14-23(22)29-25(26)21-12-10-20(11-13-21)9-8-19-6-4-18(5-7-19)3-2-16-31/h4-7,10-15,17,31,33H,2-3,16H2,1H3,(H,30,32).
What are the key properties of N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 25059854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).