N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide

C23H18N4O3 — CID 38661634

IUPACN-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ccccc3n2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H18N4O3/c1-30-21-13-17(9-11-19(21)27-22(28)16-6-4-12-24-14-16)25-23(29)20-10-8-15-5-2-3-7-18(15)26-20/h2-14H,1H3,(H,25,29)(H,27,28)
InChIKeyPTEVYFJIUHEMAJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.14
Rot. Bonds5

About N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide

N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide (PubChem CID 38661634) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
PubChem CID38661634
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ccccc3n2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H18N4O3/c1-30-21-13-17(9-11-19(21)27-22(28)16-6-4-12-24-14-16)25-23(29)20-10-8-15-5-2-3-7-18(15)26-20/h2-14H,1H3,(H,25,29)(H,27,28)
InChIKeyPTEVYFJIUHEMAJ-UHFFFAOYSA-N
XLogP4.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide
CID 55760872
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
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]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 47783030

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide (CID 38661634) is N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide is COc1cc(NC(=O)c2ccc3ccccc3n2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide?
The InChIKey is PTEVYFJIUHEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-30-21-13-17(9-11-19(21)27-22(28)16-6-4-12-24-14-16)25-23(29)20-10-8-15-5-2-3-7-18(15)26-20/h2-14H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide?
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 38661634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).