N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide

C22H17N5O3 — CID 6417013

IUPACN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
SMILESCOc1ccc2c(c1)c1nnc(NC(=O)c3ccco3)nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N5O3/c1-29-15-9-10-17-16(12-15)19-20(27(17)13-14-6-3-2-4-7-14)23-22(26-25-19)24-21(28)18-8-5-11-30-18/h2-12H,13H2,1H3,(H,23,24,26,28)
InChIKeyANUHQOSMUMAYAA-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.88
Rot. Bonds5

About N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide

N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide (PubChem CID 6417013) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
PubChem CID6417013
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC NameN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
SMILESCOc1ccc2c(c1)c1nnc(NC(=O)c3ccco3)nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N5O3/c1-29-15-9-10-17-16(12-15)19-20(27(17)13-14-6-3-2-4-7-14)23-22(26-25-19)24-21(28)18-8-5-11-30-18/h2-12H,13H2,1H3,(H,23,24,26,28)
InChIKeyANUHQOSMUMAYAA-UHFFFAOYSA-N
XLogP3.88
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide
CID 6416789
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
CID 6417161
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
CID 70292168
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 134083504
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
CID 134083531

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide (CID 6417013) is N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide is COc1ccc2c(c1)c1nnc(NC(=O)c3ccco3)nc1n2Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide?
The InChIKey is ANUHQOSMUMAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-29-15-9-10-17-16(12-15)19-20(27(17)13-14-6-3-2-4-7-14)23-22(26-25-19)24-21(28)18-8-5-11-30-18/h2-12H,13H2,1H3,(H,23,24,26,28).
What are the key properties of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide?
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 6417013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).