6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide

C22H23FN6O2 — CID 67509222

IUPAC6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N(C(N)=O)C2CCCCC2)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C22H23FN6O2/c23-17-11-16(19(24)30)20(27-14-10-13-6-4-5-9-18(13)26-12-14)28-21(17)29(22(25)31)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,24,30)(H2,25,31)(H,27,28)
InChIKeyXYLKBCAWBZEZLE-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.83
Rot. Bonds5

About 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide

6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide (PubChem CID 67509222) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
PubChem CID67509222
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N(C(N)=O)C2CCCCC2)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C22H23FN6O2/c23-17-11-16(19(24)30)20(27-14-10-13-6-4-5-9-18(13)26-12-14)28-21(17)29(22(25)31)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,24,30)(H2,25,31)(H,27,28)
InChIKeyXYLKBCAWBZEZLE-UHFFFAOYSA-N
XLogP3.83
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide (CID 67509222) is 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide is NC(=O)c1cc(F)c(N(C(N)=O)C2CCCCC2)nc1Nc1cnc2ccccc2c1.
What is the InChIKey of 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is XYLKBCAWBZEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c23-17-11-16(19(24)30)20(27-14-10-13-6-4-5-9-18(13)26-12-14)28-21(17)29(22(25)31)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,24,30)(H2,25,31)(H,27,28).
What are the key properties of 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67509222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).