6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide

C17H19FN8O — CID 57335824

IUPAC6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
SMILESC[C@H](N)CNc1nc(Nc2cccc(-n3nccn3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C17H19FN8O/c1-10(19)9-21-17-14(18)8-13(15(20)27)16(25-17)24-11-3-2-4-12(7-11)26-22-5-6-23-26/h2-8,10H,9,19H2,1H3,(H2,20,27)(H2,21,24,25)/t10-/m0/s1
InChIKeyBAMSPYOQRKSNFW-JTQLQIEISA-N
MW370.39 g/mol
LogP1.40
Rot. Bonds7

About 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide

6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide (PubChem CID 57335824) has the molecular formula C17H19FN8O and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
PubChem CID57335824
Molecular FormulaC17H19FN8O
Molecular Weight370.39 g/mol
Exact Mass370.17
IUPAC Name6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
SMILESC[C@H](N)CNc1nc(Nc2cccc(-n3nccn3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C17H19FN8O/c1-10(19)9-21-17-14(18)8-13(15(20)27)16(25-17)24-11-3-2-4-12(7-11)26-22-5-6-23-26/h2-8,10H,9,19H2,1H3,(H2,20,27)(H2,21,24,25)/t10-/m0/s1
InChIKeyBAMSPYOQRKSNFW-JTQLQIEISA-N
XLogP1.40
TPSA136.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide (CID 57335824) is 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide is C[C@H](N)CNc1nc(Nc2cccc(-n3nccn3)c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The InChIKey is BAMSPYOQRKSNFW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19FN8O/c1-10(19)9-21-17-14(18)8-13(15(20)27)16(25-17)24-11-3-2-4-12(7-11)26-22-5-6-23-26/h2-8,10H,9,19H2,1H3,(H2,20,27)(H2,21,24,25)/t10-/m0/s1.
What are the key properties of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 57335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).