N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

C20H17BrN4O5 — CID 38660436

IUPACN-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C20H17BrN4O5/c1-29-16-9-13(4-5-14(16)25-19(27)12-3-2-8-22-10-12)24-18(26)11-23-20(28)15-6-7-17(21)30-15/h2-10H,11H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyOXLQISDWWXPDQN-UHFFFAOYSA-N
MW473.28 g/mol
LogP3.07
Rot. Bonds7

About N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 38660436) has the molecular formula C20H17BrN4O5 and a molecular weight of 473.28 g/mol. Its IUPAC name is N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID38660436
Molecular FormulaC20H17BrN4O5
Molecular Weight473.28 g/mol
Exact Mass472.04
IUPAC NameN-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C20H17BrN4O5/c1-29-16-9-13(4-5-14(16)25-19(27)12-3-2-8-22-10-12)24-18(26)11-23-20(28)15-6-7-17(21)30-15/h2-10H,11H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyOXLQISDWWXPDQN-UHFFFAOYSA-N
XLogP3.07
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.28
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653506
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55671110
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 38660436) is N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is OXLQISDWWXPDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O5/c1-29-16-9-13(4-5-14(16)25-19(27)12-3-2-8-22-10-12)24-18(26)11-23-20(28)15-6-7-17(21)30-15/h2-10H,11H2,1H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 473.28 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 38660436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).