N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C22H19N5O3 — CID 55795833

IUPACN-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H19N5O3/c1-15-4-7-17(11-19(15)26-22(29)20-3-2-10-30-20)21(28)24-12-16-5-8-18(9-6-16)27-14-23-13-25-27/h2-11,13-14H,12H2,1H3,(H,24,28)(H,26,29)
InChIKeyPHYYMLFODYLCMR-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.35
Rot. Bonds6

About N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55795833) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55795833
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H19N5O3/c1-15-4-7-17(11-19(15)26-22(29)20-3-2-10-30-20)21(28)24-12-16-5-8-18(9-6-16)27-14-23-13-25-27/h2-11,13-14H,12H2,1H3,(H,24,28)(H,26,29)
InChIKeyPHYYMLFODYLCMR-UHFFFAOYSA-N
XLogP3.35
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17461631
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
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
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 120944606

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55795833) is N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is PHYYMLFODYLCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-15-4-7-17(11-19(15)26-22(29)20-3-2-10-30-20)21(28)24-12-16-5-8-18(9-6-16)27-14-23-13-25-27/h2-11,13-14H,12H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55795833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).