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

C27H30N6O3 — CID 143281028

IUPACN-hydroxy-2-[8-[4-(morpholin-4-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,2-dihydropyrimidine-5-carboxamide
SMILESO=C(NO)C1=CNC(N2CCc3[nH]c4ccc(-c5ccc(CN6CCOCC6)cc5)cc4c3C2)N=C1
InChIInChI=1S/C27H30N6O3/c34-26(31-35)21-14-28-27(29-15-21)33-8-7-25-23(17-33)22-13-20(5-6-24(22)30-25)19-3-1-18(2-4-19)16-32-9-11-36-12-10-32/h1-6,13-15,27-28,30,35H,7-12,16-17H2,(H,31,34)
InChIKeyLFYUWYNABDFYOZ-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.37
Rot. Bonds5

About 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

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 (PubChem CID 143281028) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-hydroxy-2-[8-[4-(morpholin-4-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,2-dihydropyrimidine-5-carboxamide
PubChem CID143281028
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC NameN-hydroxy-2-[8-[4-(morpholin-4-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,2-dihydropyrimidine-5-carboxamide
SMILESO=C(NO)C1=CNC(N2CCc3[nH]c4ccc(-c5ccc(CN6CCOCC6)cc5)cc4c3C2)N=C1
InChIInChI=1S/C27H30N6O3/c34-26(31-35)21-14-28-27(29-15-21)33-8-7-25-23(17-33)22-13-20(5-6-24(22)30-25)19-3-1-18(2-4-19)16-32-9-11-36-12-10-32/h1-6,13-15,27-28,30,35H,7-12,16-17H2,(H,31,34)
InChIKeyLFYUWYNABDFYOZ-UHFFFAOYSA-N
XLogP2.37
TPSA105.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.37
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NO)C1=CNC(N2CCc3[nH]c4ccc(-c5ccc(CN6CCOCC6)cc5)cc4c3C2)N=C1.
What is the InChIKey of 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?
The InChIKey is LFYUWYNABDFYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c34-26(31-35)21-14-28-27(29-15-21)33-8-7-25-23(17-33)22-13-20(5-6-24(22)30-25)19-3-1-18(2-4-19)16-32-9-11-36-12-10-32/h1-6,13-15,27-28,30,35H,7-12,16-17H2,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 486.58 g/mol, XLogP of 2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143281028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).