6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide

C20H20FN5O2 — CID 87426784

IUPAC6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCC(CC=O)N(N)c1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C20H20FN5O2/c1-12(8-9-27)26(23)20-17(21)11-16(18(22)28)19(25-20)24-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,9-12H,8,23H2,1H3,(H2,22,28)(H,24,25)
InChIKeyQUPDJHSZDICKHZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.87
Rot. Bonds7

About 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide

6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (PubChem CID 87426784) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
PubChem CID87426784
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCC(CC=O)N(N)c1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C20H20FN5O2/c1-12(8-9-27)26(23)20-17(21)11-16(18(22)28)19(25-20)24-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,9-12H,8,23H2,1H3,(H2,22,28)(H,24,25)
InChIKeyQUPDJHSZDICKHZ-UHFFFAOYSA-N
XLogP2.87
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (CID 87426784) is 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is CC(CC=O)N(N)c1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The InChIKey is QUPDJHSZDICKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12(8-9-27)26(23)20-17(21)11-16(18(22)28)19(25-20)24-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,9-12H,8,23H2,1H3,(H2,22,28)(H,24,25).
What are the key properties of 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 87426784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).