2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride

C24H20ClN5O3 — CID 90304609

IUPAC2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cc(-c2ccc(C#Cc3ccn(CCO)c(=O)c3)cc2)nc2ccncc12
InChIInChI=1S/C24H19N5O3.ClH/c25-28-24(32)19-14-22(27-21-7-9-26-15-20(19)21)18-5-3-16(4-6-18)1-2-17-8-10-29(11-12-30)23(31)13-17;/h3-10,13-15,30H,11-12,25H2,(H,28,32);1H
InChIKeyBXPSYJJVOURSBU-UHFFFAOYSA-N
MW461.91 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride

2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride (PubChem CID 90304609) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride
PubChem CID90304609
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC Name2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cc(-c2ccc(C#Cc3ccn(CCO)c(=O)c3)cc2)nc2ccncc12
InChIInChI=1S/C24H19N5O3.ClH/c25-28-24(32)19-14-22(27-21-7-9-26-15-20(19)21)18-5-3-16(4-6-18)1-2-17-8-10-29(11-12-30)23(31)13-17;/h3-10,13-15,30H,11-12,25H2,(H,28,32);1H
InChIKeyBXPSYJJVOURSBU-UHFFFAOYSA-N
XLogP1.88
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

ethyl 2-[4-[2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]-1,6-naphthyridin-2-yl]phenyl]ethynyl]-2-oxo-1-pyridinyl]acetate;methanol
CID 144674831
3-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-methylamino]butanoic acid
CID 90304244
2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 90304471
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-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]amino]-3-phenylpropanoic acid
CID 90304598
2-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 90304445
1-[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]piperidine-2-carboxylic acid;hydrochloride
CID 90304426
2-amino-3-[[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-methylamino]propanoic acid
CID 90315961
2-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]amino]-3-(1-methyldiazet-1-ium-3-yl)propanoic acid
CID 123423576
2-[[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-(2-methylpropyl)amino]propanoic acid
CID 90315957
[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl] pyrrolidine-2-carboxylate;hydrochloride
CID 118558311

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride?
The IUPAC name of 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride (CID 90304609) is 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride?
The canonical SMILES for 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride is Cl.NNC(=O)c1cc(-c2ccc(C#Cc3ccn(CCO)c(=O)c3)cc2)nc2ccncc12.
What is the InChIKey of 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride?
The InChIKey is BXPSYJJVOURSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3.ClH/c25-28-24(32)19-14-22(27-21-7-9-26-15-20(19)21)18-5-3-16(4-6-18)1-2-17-8-10-29(11-12-30)23(31)13-17;/h3-10,13-15,30H,11-12,25H2,(H,28,32);1H.
What are the key properties of 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride?
2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride has a molecular weight of 461.91 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 90304609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).