4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide

C21H20ClN5O4 — CID 11224505

IUPAC4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NNC(=O)Nc3cc(Cl)ccc3OC)cc2)ccn1
InChIInChI=1S/C21H20ClN5O4/c1-23-20(28)18-12-16(9-10-24-18)31-15-6-4-14(5-7-15)26-27-21(29)25-17-11-13(22)3-8-19(17)30-2/h3-12,26H,1-2H3,(H,23,28)(H2,25,27,29)
InChIKeyQFVHBFKQNYWJDE-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.04
Rot. Bonds7

About 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 11224505) has the molecular formula C21H20ClN5O4 and a molecular weight of 441.88 g/mol. Its IUPAC name is 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID11224505
Molecular FormulaC21H20ClN5O4
Molecular Weight441.88 g/mol
Exact Mass441.12
IUPAC Name4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NNC(=O)Nc3cc(Cl)ccc3OC)cc2)ccn1
InChIInChI=1S/C21H20ClN5O4/c1-23-20(28)18-12-16(9-10-24-18)31-15-6-4-14(5-7-15)26-27-21(29)25-17-11-13(22)3-8-19(17)30-2/h3-12,26H,1-2H3,(H,23,28)(H2,25,27,29)
InChIKeyQFVHBFKQNYWJDE-UHFFFAOYSA-N
XLogP4.04
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
N-methyl-4-[4-[2-[(4-methylsulfanylphenyl)carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11407586
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162196336
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919764
4-[4-[1-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044447
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 11224505) is 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NNC(=O)Nc3cc(Cl)ccc3OC)cc2)ccn1.
What is the InChIKey of 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is QFVHBFKQNYWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O4/c1-23-20(28)18-12-16(9-10-24-18)31-15-6-4-14(5-7-15)26-27-21(29)25-17-11-13(22)3-8-19(17)30-2/h3-12,26H,1-2H3,(H,23,28)(H2,25,27,29).
What are the key properties of 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 441.88 g/mol, XLogP of 4.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11224505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).