8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C17H17FN4O2 — CID 23582701

IUPAC8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCOCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C17H17FN4O2/c18-9-1-2-13-11(7-9)14-15(22-13)12(16(19)23)8-20-17(14)21-10-3-5-24-6-4-10/h1-2,7-8,10,22H,3-6H2,(H2,19,23)(H,20,21)
InChIKeyIEMSSHYKEDNTPV-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.55
Rot. Bonds3

About 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582701) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582701
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCOCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C17H17FN4O2/c18-9-1-2-13-11(7-9)14-15(22-13)12(16(19)23)8-20-17(14)21-10-3-5-24-6-4-10/h1-2,7-8,10,22H,3-6H2,(H2,19,23)(H,20,21)
InChIKeyIEMSSHYKEDNTPV-UHFFFAOYSA-N
XLogP2.55
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582701) is 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC2CCOCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is IEMSSHYKEDNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-9-1-2-13-11(7-9)14-15(22-13)12(16(19)23)8-20-17(14)21-10-3-5-24-6-4-10/h1-2,7-8,10,22H,3-6H2,(H2,19,23)(H,20,21).
What are the key properties of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).