N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide

C21H24N6O3 — CID 11996041

IUPACN-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCc3c([nH]c4cc(CN5CCOCC5)ccc34)C2)nc1
InChIInChI=1S/C21H24N6O3/c28-20(25-29)15-10-22-21(23-11-15)27-4-3-17-16-2-1-14(9-18(16)24-19(17)13-27)12-26-5-7-30-8-6-26/h1-2,9-11,24,29H,3-8,12-13H2,(H,25,28)
InChIKeyKPUMZEJTAJKFNJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.47
Rot. Bonds4

About N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide (PubChem CID 11996041) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide
PubChem CID11996041
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCc3c([nH]c4cc(CN5CCOCC5)ccc34)C2)nc1
InChIInChI=1S/C21H24N6O3/c28-20(25-29)15-10-22-21(23-11-15)27-4-3-17-16-2-1-14(9-18(16)24-19(17)13-27)12-26-5-7-30-8-6-26/h1-2,9-11,24,29H,3-8,12-13H2,(H,25,28)
InChIKeyKPUMZEJTAJKFNJ-UHFFFAOYSA-N
XLogP1.47
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-hydroxy-2-[7-[(4-methylpiperazin-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11996186
N-hydroxy-2-[7-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997694
N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
CID 11996476
N-hydroxy-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]furan-2-yl]methyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10310972
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
N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997536
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-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
CID 166625654
N-hydroxy-2-[8-[3-(methanesulfonamido)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997405
N-hydroxy-2-[4-[4-[5-(morpholin-4-ylmethyl)-2,3-dihydrothiophen-4-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 88584489
2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58896200
N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58845150

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide (CID 11996041) is N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCc3c([nH]c4cc(CN5CCOCC5)ccc34)C2)nc1.
What is the InChIKey of N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is KPUMZEJTAJKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c28-20(25-29)15-10-22-21(23-11-15)27-4-3-17-16-2-1-14(9-18(16)24-19(17)13-27)12-26-5-7-30-8-6-26/h1-2,9-11,24,29H,3-8,12-13H2,(H,25,28).
What are the key properties of N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 11996041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).