N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide

C21H21N3O3 — CID 47067341

IUPACN-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1C
InChIInChI=1S/C21H21N3O3/c1-13-14(2)27-15(3)19(13)21(26)23-12-16-7-6-8-17(11-16)24-20(25)18-9-4-5-10-22-18/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySTDBJZQTMYUWBE-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.78
Rot. Bonds5

About N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide

N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 47067341) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID47067341
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1C
InChIInChI=1S/C21H21N3O3/c1-13-14(2)27-15(3)19(13)21(26)23-12-16-7-6-8-17(11-16)24-20(25)18-9-4-5-10-22-18/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySTDBJZQTMYUWBE-UHFFFAOYSA-N
XLogP3.78
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 167888632
N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
CID 166190967
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
N-[(3-carbamothioylphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65153334
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
5-methyl-1-[[3-(pyridine-2-carbonylamino)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122353
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide (CID 47067341) is N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide is Cc1oc(C)c(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1C.
What is the InChIKey of N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is STDBJZQTMYUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-14(2)27-15(3)19(13)21(26)23-12-16-7-6-8-17(11-16)24-20(25)18-9-4-5-10-22-18/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 47067341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).