acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide

C27H29N5O3 — CID 144674882

IUPACacetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
SMILESCC=O.CNCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C25H25N5O2.C2H4O/c1-27-12-2-14-32-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(25(31)30-26)22-16-28-13-11-23(22)29-24;1-2-3/h3-11,13,15-16,27H,2,12,14,26H2,1H3,(H,30,31);2H,1H3
InChIKeyYBBFDQSHGKPOHB-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.76
Rot. Bonds8

About acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide

acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide (PubChem CID 144674882) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide.

Molecular Properties

Compound Nameacetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
PubChem CID144674882
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Nameacetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
SMILESCC=O.CNCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C25H25N5O2.C2H4O/c1-27-12-2-14-32-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(25(31)30-26)22-16-28-13-11-23(22)29-24;1-2-3/h3-11,13,15-16,27H,2,12,14,26H2,1H3,(H,30,31);2H,1H3
InChIKeyYBBFDQSHGKPOHB-UHFFFAOYSA-N
XLogP3.76
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
CID 77105680
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]-2-methylpropanamide
CID 77105303
N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
CID 77105490
methyl 2-[4-[4-(5-methyl-4-oxohexoxy)phenyl]phenyl]-1,6-naphthyridine-4-carboxylate
CID 159798118
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
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
2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol
CID 144675128
2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 77106094
3-[[4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-methylamino]butanoic acid
CID 90304244
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
The IUPAC name of acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide (CID 144674882) is acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide.
What is the SMILES notation for acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
The canonical SMILES for acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide is CC=O.CNCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1.
What is the InChIKey of acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
The InChIKey is YBBFDQSHGKPOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C2H4O/c1-27-12-2-14-32-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(25(31)30-26)22-16-28-13-11-23(22)29-24;1-2-3/h3-11,13,15-16,27H,2,12,14,26H2,1H3,(H,30,31);2H,1H3.
What are the key properties of acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide has a molecular weight of 471.56 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide is sourced from PubChem (CID 144674882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).