2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide

C20H19N5O3 — CID 143281031

IUPAC2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide
SMILESO=C(NO)C1=CNC(N2CCc3[nH]c4ccc(-c5ccco5)cc4c3C2)N=C1
InChIInChI=1S/C20H19N5O3/c26-19(24-27)13-9-21-20(22-10-13)25-6-5-17-15(11-25)14-8-12(3-4-16(14)23-17)18-2-1-7-28-18/h1-4,7-10,20-21,23,27H,5-6,11H2,(H,24,26)
InChIKeyAYDAHJYHRLCECJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.13
Rot. Bonds3

About 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide

2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide (PubChem CID 143281031) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide
PubChem CID143281031
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide
SMILESO=C(NO)C1=CNC(N2CCc3[nH]c4ccc(-c5ccco5)cc4c3C2)N=C1
InChIInChI=1S/C20H19N5O3/c26-19(24-27)13-9-21-20(22-10-13)25-6-5-17-15(11-25)14-8-12(3-4-16(14)23-17)18-2-1-7-28-18/h1-4,7-10,20-21,23,27H,5-6,11H2,(H,24,26)
InChIKeyAYDAHJYHRLCECJ-UHFFFAOYSA-N
XLogP2.13
TPSA105.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-[8-[4-(morpholin-4-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,2-dihydropyrimidine-5-carboxamide
CID 143281028
2-(2-hydroxyethylamino)ethanol;N-hydroxy-2-[8-(3-methylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 87461512
2-(furan-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081820
N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997536
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 66612137
N-hydroxy-2-[8-[3-(methanesulfonamido)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997405
4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
CID 69045328
2-cyclopentyl-8-nitro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59316072
N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
CID 11996476
methyl 2-[2-(furan-2-yl)cyclopropanecarbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 71884173
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
CID 54368561
1-(furan-2-yl)-2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]ethanol
CID 110010184

Frequently Asked Questions

What is the IUPAC name of 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide?
The IUPAC name of 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide (CID 143281031) is 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide is O=C(NO)C1=CNC(N2CCc3[nH]c4ccc(-c5ccco5)cc4c3C2)N=C1.
What is the InChIKey of 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide?
The InChIKey is AYDAHJYHRLCECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-19(24-27)13-9-21-20(22-10-13)25-6-5-17-15(11-25)14-8-12(3-4-16(14)23-17)18-2-1-7-28-18/h1-4,7-10,20-21,23,27H,5-6,11H2,(H,24,26).
What are the key properties of 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide?
2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(furan-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N-hydroxy-1,2-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 143281031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).