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

C19H23FN4O — CID 23582702

IUPAC8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCCCCCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C19H23FN4O/c1-2-3-4-5-6-9-22-19-16-13-10-12(20)7-8-15(13)24-17(16)14(11-23-19)18(21)25/h7-8,10-11,24H,2-6,9H2,1H3,(H2,21,25)(H,22,23)
InChIKeyCTVKHORDJFNXQQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.34
Rot. Bonds8

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

8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582702) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582702
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCCCCCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C19H23FN4O/c1-2-3-4-5-6-9-22-19-16-13-10-12(20)7-8-15(13)24-17(16)14(11-23-19)18(21)25/h7-8,10-11,24H,2-6,9H2,1H3,(H2,21,25)(H,22,23)
InChIKeyCTVKHORDJFNXQQ-UHFFFAOYSA-N
XLogP4.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582762
1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582128
5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 57412102
4-carbamoyl-1-chloro-5H-pyrido[4,3-b]indole-8-carboxylic acid
CID 134520741
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
4-N-(4-fluorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142409
8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608568
8-fluoro-1-[(6S)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134520750
2-(butylamino)pyridine-3-carboxamide
CID 29031037
4-fluoro-N-heptylaniline
CID 43129312

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582702) is 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is CCCCCCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12.
What is the InChIKey of 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is CTVKHORDJFNXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-2-3-4-5-6-9-22-19-16-13-10-12(20)7-8-15(13)24-17(16)14(11-23-19)18(21)25/h7-8,10-11,24H,2-6,9H2,1H3,(H2,21,25)(H,22,23).
What are the key properties of 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).