N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide

C23H19N3O3 — CID 130207903

IUPACN-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide
SMILESC=C(C#Cc1ccc(-c2cc(C(=O)NO)c3cnccc3n2)cc1)[C@@H]1C[C@H]1CO
InChIInChI=1S/C23H19N3O3/c1-14(18-10-17(18)13-27)2-3-15-4-6-16(7-5-15)22-11-19(23(28)26-29)20-12-24-9-8-21(20)25-22/h4-9,11-12,17-18,27,29H,1,10,13H2,(H,26,28)/t17-,18-/m0/s1
InChIKeyCLLFHTVMIKDLBW-ROUUACIJSA-N
MW385.42 g/mol
LogP2.95
Rot. Bonds4

About N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide

N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide (PubChem CID 130207903) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide
PubChem CID130207903
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide
SMILESC=C(C#Cc1ccc(-c2cc(C(=O)NO)c3cnccc3n2)cc1)[C@@H]1C[C@H]1CO
InChIInChI=1S/C23H19N3O3/c1-14(18-10-17(18)13-27)2-3-15-4-6-16(7-5-15)22-11-19(23(28)26-29)20-12-24-9-8-21(20)25-22/h4-9,11-12,17-18,27,29H,1,10,13H2,(H,26,28)/t17-,18-/m0/s1
InChIKeyCLLFHTVMIKDLBW-ROUUACIJSA-N
XLogP2.95
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]cyclopropane-1-carboxylic acid
CID 129167578
2-[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]anilino]-3-hydroxybutanoic acid
CID 90304545
2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 90304471
2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride
CID 90304609
1-[[5-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylic acid
CID 123456145
1-[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]piperidine-2-carboxylic acid;hydrochloride
CID 90304426
[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl] pyrrolidine-2-carboxylate;hydrochloride
CID 118558311
2-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]amino]-3-phenylpropanoic acid
CID 90304598
3-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-methylamino]butanoic acid
CID 90304244
(2S)-1-[4-[2-[4-[4-[(chloroamino)carbamoyl]-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 118569693
2-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 90304445
1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride
CID 118558319

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide (CID 130207903) is N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide is C=C(C#Cc1ccc(-c2cc(C(=O)NO)c3cnccc3n2)cc1)[C@@H]1C[C@H]1CO.
What is the InChIKey of N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide?
The InChIKey is CLLFHTVMIKDLBW-ROUUACIJSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-14(18-10-17(18)13-27)2-3-15-4-6-16(7-5-15)22-11-19(23(28)26-29)20-12-24-9-8-21(20)25-22/h4-9,11-12,17-18,27,29H,1,10,13H2,(H,26,28)/t17-,18-/m0/s1.
What are the key properties of N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide?
N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]but-3-en-1-ynyl]phenyl]-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 130207903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).