N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

C23H20ClFN4O4 — CID 55760803

IUPACN-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H20ClFN4O4/c1-33-20-12-16(5-7-19(20)29-22(31)14-3-2-9-26-13-14)28-21(30)8-10-27-23(32)17-6-4-15(25)11-18(17)24/h2-7,9,11-13H,8,10H2,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyDKWCEYGTRGLVLY-UHFFFAOYSA-N
MW470.89 g/mol
LogP3.89
Rot. Bonds8

About N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 55760803) has the molecular formula C23H20ClFN4O4 and a molecular weight of 470.89 g/mol. Its IUPAC name is N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID55760803
Molecular FormulaC23H20ClFN4O4
Molecular Weight470.89 g/mol
Exact Mass470.12
IUPAC NameN-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H20ClFN4O4/c1-33-20-12-16(5-7-19(20)29-22(31)14-3-2-9-26-13-14)28-21(30)8-10-27-23(32)17-6-4-15(25)11-18(17)24/h2-7,9,11-13H,8,10H2,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyDKWCEYGTRGLVLY-UHFFFAOYSA-N
XLogP3.89
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.89
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55956277
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 39839538
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 46460746
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 47783030
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 55760803) is N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is DKWCEYGTRGLVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O4/c1-33-20-12-16(5-7-19(20)29-22(31)14-3-2-9-26-13-14)28-21(30)8-10-27-23(32)17-6-4-15(25)11-18(17)24/h2-7,9,11-13H,8,10H2,1H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 470.89 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55760803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).