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

C22H21FN4O3 — CID 47783030

IUPACN-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N(C)C)c(F)c2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H21FN4O3/c1-27(2)19-9-6-14(11-17(19)23)21(28)25-16-7-8-18(20(12-16)30-3)26-22(29)15-5-4-10-24-13-15/h4-13H,1-3H3,(H,25,28)(H,26,29)
InChIKeyKWHZDILDSGYZGO-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.80
Rot. Bonds6

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

N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 47783030) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID47783030
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N(C)C)c(F)c2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H21FN4O3/c1-27(2)19-9-6-14(11-17(19)23)21(28)25-16-7-8-18(20(12-16)30-3)26-22(29)15-5-4-10-24-13-15/h4-13H,1-3H3,(H,25,28)(H,26,29)
InChIKeyKWHZDILDSGYZGO-UHFFFAOYSA-N
XLogP3.80
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653581
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 46460746
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 47783030) is N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(N(C)C)c(F)c2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is KWHZDILDSGYZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-27(2)19-9-6-14(11-17(19)23)21(28)25-16-7-8-18(20(12-16)30-3)26-22(29)15-5-4-10-24-13-15/h4-13H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 47783030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).