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

C18H17FN6O2 — CID 67775533

IUPAC6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC(Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C18H17FN6O2/c1-9(15(20)26)23-18-13(19)8-12(16(21)27)17(25-18)24-11-5-4-10-3-2-6-22-14(10)7-11/h2-9H,1H3,(H2,20,26)(H2,21,27)(H2,23,24,25)
InChIKeySJSFLCGXDDOXBR-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.90
Rot. Bonds6

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

6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide (PubChem CID 67775533) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID67775533
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC(Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C18H17FN6O2/c1-9(15(20)26)23-18-13(19)8-12(16(21)27)17(25-18)24-11-5-4-10-3-2-6-22-14(10)7-11/h2-9H,1H3,(H2,20,26)(H2,21,27)(H2,23,24,25)
InChIKeySJSFLCGXDDOXBR-UHFFFAOYSA-N
XLogP1.90
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.90
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-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide (CID 67775533) is 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide is CC(Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The InChIKey is SJSFLCGXDDOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-9(15(20)26)23-18-13(19)8-12(16(21)27)17(25-18)24-11-5-4-10-3-2-6-22-14(10)7-11/h2-9H,1H3,(H2,20,26)(H2,21,27)(H2,23,24,25).
What are the key properties of 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67775533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).