N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

C20H17N5O3 — CID 17461631

IUPACN-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nnc3ccccn23)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H17N5O3/c1-13-7-8-14(11-15(13)22-20(27)16-5-4-10-28-16)19(26)21-12-18-24-23-17-6-2-3-9-25(17)18/h2-11H,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyQAWPMCKBWDFBHT-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.81
Rot. Bonds5

About N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 17461631) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID17461631
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nnc3ccccn23)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H17N5O3/c1-13-7-8-14(11-15(13)22-20(27)16-5-4-10-28-16)19(26)21-12-18-24-23-17-6-2-3-9-25(17)18/h2-11H,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyQAWPMCKBWDFBHT-UHFFFAOYSA-N
XLogP2.81
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[2-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 134050008
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide
CID 31282646
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55795833

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (CID 17461631) is N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2nnc3ccccn23)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is QAWPMCKBWDFBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-13-7-8-14(11-15(13)22-20(27)16-5-4-10-28-16)19(26)21-12-18-24-23-17-6-2-3-9-25(17)18/h2-11H,12H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17461631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).