N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide

C17H19N5O2 — CID 11996798

IUPACN-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
SMILESCc1ccc2c(c1)C1CN(c3ncc(C(=O)NO)cn3)CCC1N2
InChIInChI=1S/C17H19N5O2/c1-10-2-3-14-12(6-10)13-9-22(5-4-15(13)20-14)17-18-7-11(8-19-17)16(23)21-24/h2-3,6-8,13,15,20,24H,4-5,9H2,1H3,(H,21,23)
InChIKeyRFIZNBDAMMCCLR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.69
Rot. Bonds2

About N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide

N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide (PubChem CID 11996798) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
PubChem CID11996798
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
SMILESCc1ccc2c(c1)C1CN(c3ncc(C(=O)NO)cn3)CCC1N2
InChIInChI=1S/C17H19N5O2/c1-10-2-3-14-12(6-10)13-9-22(5-4-15(13)20-14)17-18-7-11(8-19-17)16(23)21-24/h2-3,6-8,13,15,20,24H,4-5,9H2,1H3,(H,21,23)
InChIKeyRFIZNBDAMMCCLR-UHFFFAOYSA-N
XLogP1.69
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide (CID 11996798) is N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide is Cc1ccc2c(c1)C1CN(c3ncc(C(=O)NO)cn3)CCC1N2.
What is the InChIKey of N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is RFIZNBDAMMCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-2-3-14-12(6-10)13-9-22(5-4-15(13)20-14)17-18-7-11(8-19-17)16(23)21-24/h2-3,6-8,13,15,20,24H,4-5,9H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 11996798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).