4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide

C21H18Cl2N4O3 — CID 142886642

IUPAC4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)Nc2cc(Cl)ccc2Cl)ccc1Oc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H18Cl2N4O3/c1-12-8-13(11-26-21(29)27-17-9-14(22)3-4-16(17)23)2-5-19(12)30-15-6-7-25-18(10-15)20(24)28/h2-10H,11H2,1H3,(H2,24,28)(H2,26,27,29)
InChIKeyOASBEJHMCVFFRI-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.91
Rot. Bonds6

About 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide

4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide (PubChem CID 142886642) has the molecular formula C21H18Cl2N4O3 and a molecular weight of 445.31 g/mol. Its IUPAC name is 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide
PubChem CID142886642
Molecular FormulaC21H18Cl2N4O3
Molecular Weight445.31 g/mol
Exact Mass444.08
IUPAC Name4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)Nc2cc(Cl)ccc2Cl)ccc1Oc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H18Cl2N4O3/c1-12-8-13(11-26-21(29)27-17-9-14(22)3-4-16(17)23)2-5-19(12)30-15-6-7-25-18(10-15)20(24)28/h2-10H,11H2,1H3,(H2,24,28)(H2,26,27,29)
InChIKeyOASBEJHMCVFFRI-UHFFFAOYSA-N
XLogP4.91
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[(2-methoxy-4,5-dimethylphenyl)carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301640
4-[4-[[[2-(2-amino-2-oxoethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxylic acid
CID 118293326
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55808925
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
CID 142886643
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
4-[4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]-2-methylphenoxy]pyridine-2-carboxamide
CID 87651103
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
4-[4-[[[4-chloro-2-[2-(dimethylamino)ethyl-methylamino]-5-methylphenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044540
4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044521

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide (CID 142886642) is 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide is Cc1cc(CNC(=O)Nc2cc(Cl)ccc2Cl)ccc1Oc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide?
The InChIKey is OASBEJHMCVFFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3/c1-12-8-13(11-26-21(29)27-17-9-14(22)3-4-16(17)23)2-5-19(12)30-15-6-7-25-18(10-15)20(24)28/h2-10H,11H2,1H3,(H2,24,28)(H2,26,27,29).
What are the key properties of 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide?
4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide has a molecular weight of 445.31 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-2-methylphenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 142886642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).