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

C19H21FN4O — CID 23582128

IUPAC1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NCC2CCCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C19H21FN4O/c20-12-6-7-15-13(8-12)16-17(24-15)14(18(21)25)10-23-19(16)22-9-11-4-2-1-3-5-11/h6-8,10-11,24H,1-5,9H2,(H2,21,25)(H,22,23)
InChIKeyJRJBDVPELPFCKJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.95
Rot. Bonds4

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

1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582128) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582128
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NCC2CCCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C19H21FN4O/c20-12-6-7-15-13(8-12)16-17(24-15)14(18(21)25)10-23-19(16)22-9-11-4-2-1-3-5-11/h6-8,10-11,24H,1-5,9H2,(H2,21,25)(H,22,23)
InChIKeyJRJBDVPELPFCKJ-UHFFFAOYSA-N
XLogP3.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582128) is 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NCC2CCCCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is JRJBDVPELPFCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-12-6-7-15-13(8-12)16-17(24-15)14(18(21)25)10-23-19(16)22-9-11-4-2-1-3-5-11/h6-8,10-11,24H,1-5,9H2,(H2,21,25)(H,22,23).
What are the key properties of 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).