6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide

C19H24FN9O2 — CID 135305755

About 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide

6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 135305755) has the molecular formula C19H24FN9O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 135305755
• Molecular Formula: C19H24FN9O2
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.20
• IUPAC Name: 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CCC(Nc1nc(Nc2cnc(OC)c(-n3nccn3)c2)c(C(N)=O)cc1F)C(C)N
• InChI: InChI=1S/C19H24FN9O2/c1-4-14(10(2)21)27-18-13(20)8-12(16(22)30)17(28-18)26-11-7-15(19(31-3)23-9-11)29-24-5-6-25-29/h5-10,14H,4,21H2,1-3H3,(H2,22,30)(H2,26,27,28)
• InChIKey: OFOIMZWGCHMCDU-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 158.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (CID 135305755) is 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is CCC(Nc1nc(Nc2cnc(OC)c(-n3nccn3)c2)c(C(N)=O)cc1F)C(C)N.

What is the InChIKey of 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is OFOIMZWGCHMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN9O2/c1-4-14(10(2)21)27-18-13(20)8-12(16(22)30)17(28-18)26-11-7-15(19(31-3)23-9-11)29-24-5-6-25-29/h5-10,14H,4,21H2,1-3H3,(H2,22,30)(H2,26,27,28).

What are the key properties of 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 1.59, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135305755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).