6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide

C20H21FN6O2 — CID 67773899

IUPAC6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
SMILESCCCC(Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C20H21FN6O2/c1-2-4-15(18(23)29)26-20-14(21)10-13(17(22)28)19(27-20)25-12-7-6-11-5-3-8-24-16(11)9-12/h3,5-10,15H,2,4H2,1H3,(H2,22,28)(H2,23,29)(H2,25,26,27)
InChIKeyJZSSACLVZHLGRL-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.68
Rot. Bonds8

About 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide

6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide (PubChem CID 67773899) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID67773899
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
SMILESCCCC(Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C20H21FN6O2/c1-2-4-15(18(23)29)26-20-14(21)10-13(17(22)28)19(27-20)25-12-7-6-11-5-3-8-24-16(11)9-12/h3,5-10,15H,2,4H2,1H3,(H2,22,28)(H2,23,29)(H2,25,26,27)
InChIKeyJZSSACLVZHLGRL-UHFFFAOYSA-N
XLogP2.68
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide (CID 67773899) is 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide is CCCC(Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The InChIKey is JZSSACLVZHLGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-2-4-15(18(23)29)26-20-14(21)10-13(17(22)28)19(27-20)25-12-7-6-11-5-3-8-24-16(11)9-12/h3,5-10,15H,2,4H2,1H3,(H2,22,28)(H2,23,29)(H2,25,26,27).
What are the key properties of 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67773899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).