N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide

C25H25ClN4O4 — CID 24606049

IUPACN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl
InChIInChI=1S/C25H25ClN4O4/c1-17-14-21(7-8-22(17)26)34-16-18-2-4-19(5-3-18)24(31)28-29-25(32)20-6-9-23(27-15-20)30-10-12-33-13-11-30/h2-9,14-15H,10-13,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyYRZGDGJPKAHCNQ-UHFFFAOYSA-N
MW480.95 g/mol
LogP3.53
Rot. Bonds6

About N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide

N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide (PubChem CID 24606049) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
PubChem CID24606049
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC NameN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl
InChIInChI=1S/C25H25ClN4O4/c1-17-14-21(7-8-22(17)26)34-16-18-2-4-19(5-3-18)24(31)28-29-25(32)20-6-9-23(27-15-20)30-10-12-33-13-11-30/h2-9,14-15H,10-13,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyYRZGDGJPKAHCNQ-UHFFFAOYSA-N
XLogP3.53
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-cyclopropylthiourea
CID 8626251
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 18289024
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 4843166
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-(2-methoxyethyl)thiourea
CID 8626240
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31322107
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
The IUPAC name of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide (CID 24606049) is N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide is Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl.
What is the InChIKey of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
The InChIKey is YRZGDGJPKAHCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-17-14-21(7-8-22(17)26)34-16-18-2-4-19(5-3-18)24(31)28-29-25(32)20-6-9-23(27-15-20)30-10-12-33-13-11-30/h2-9,14-15H,10-13,16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide has a molecular weight of 480.95 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 24606049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).