N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide

C25H25N5O4S — CID 77105680

IUPACN-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C25H25N5O4S/c1-35(32,33)28-12-2-14-34-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(25(31)30-26)22-16-27-13-11-23(22)29-24/h3-11,13,15-16,28H,2,12,14,26H2,1H3,(H,30,31)
InChIKeyAWJTZLCMVFUYEZ-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.89
Rot. Bonds9

About N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide

N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide (PubChem CID 77105680) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
PubChem CID77105680
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C25H25N5O4S/c1-35(32,33)28-12-2-14-34-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(25(31)30-26)22-16-27-13-11-23(22)29-24/h3-11,13,15-16,28H,2,12,14,26H2,1H3,(H,30,31)
InChIKeyAWJTZLCMVFUYEZ-UHFFFAOYSA-N
XLogP2.89
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
CID 77105490
acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 144674882
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]-2-methylpropanamide
CID 77105303
methyl 2-[4-[4-(5-methyl-4-oxohexoxy)phenyl]phenyl]-1,6-naphthyridine-4-carboxylate
CID 159798118
N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
CID 161000215
2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 77106094
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
(2R)-1-[[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenyl]methylsulfonyl]pyrrolidine-2-carboxylic acid
CID 90316052
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
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
3-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-methylamino]butanoic acid
CID 90304244

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide (CID 77105680) is N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide is CS(=O)(=O)NCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1.
What is the InChIKey of N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide?
The InChIKey is AWJTZLCMVFUYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-35(32,33)28-12-2-14-34-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(25(31)30-26)22-16-27-13-11-23(22)29-24/h3-11,13,15-16,28H,2,12,14,26H2,1H3,(H,30,31).
What are the key properties of N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide?
N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide has a molecular weight of 491.57 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide is sourced from PubChem (CID 77105680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).