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

C19H24FN9O2 — CID 135305755

IUPAC6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESCCC(Nc1nc(Nc2cnc(OC)c(-n3nccn3)c2)c(C(N)=O)cc1F)C(C)N
InChIInChI=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)
InChIKeyOFOIMZWGCHMCDU-UHFFFAOYSA-N
MW429.46 g/mol
LogP1.59
Rot. Bonds9

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 Name6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID135305755
Molecular FormulaC19H24FN9O2
Molecular Weight429.46 g/mol
Exact Mass429.20
IUPAC Name6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESCCC(Nc1nc(Nc2cnc(OC)c(-n3nccn3)c2)c(C(N)=O)cc1F)C(C)N
InChIInChI=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)
InChIKeyOFOIMZWGCHMCDU-UHFFFAOYSA-N
XLogP1.59
TPSA158.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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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).