6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide

C21H23FN4O — CID 146083897

IUPAC6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(NCC2CC2)nc1
InChIInChI=1S/C21H23FN4O/c22-17-6-7-19-18(10-17)15(12-24-19)2-1-9-23-21(27)16-5-8-20(26-13-16)25-11-14-3-4-14/h5-8,10,12-14,24H,1-4,9,11H2,(H,23,27)(H,25,26)
InChIKeyJABAPSCZHRBIQQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.89
Rot. Bonds8

About 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide

6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide (PubChem CID 146083897) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide
PubChem CID146083897
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(NCC2CC2)nc1
InChIInChI=1S/C21H23FN4O/c22-17-6-7-19-18(10-17)15(12-24-19)2-1-9-23-21(27)16-5-8-20(26-13-16)25-11-14-3-4-14/h5-8,10,12-14,24H,1-4,9,11H2,(H,23,27)(H,25,26)
InChIKeyJABAPSCZHRBIQQ-UHFFFAOYSA-N
XLogP3.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.89
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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 169087243
1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122013428
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide (CID 146083897) is 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide is O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(NCC2CC2)nc1.
What is the InChIKey of 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide?
The InChIKey is JABAPSCZHRBIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-17-6-7-19-18(10-17)15(12-24-19)2-1-9-23-21(27)16-5-8-20(26-13-16)25-11-14-3-4-14/h5-8,10,12-14,24H,1-4,9,11H2,(H,23,27)(H,25,26).
What are the key properties of 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide?
6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethylamino)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 146083897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).