6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide

C15H23FN4O2 — CID 167147033

IUPAC6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide
SMILESCC(C)(F)Nc1cc(NC2CCCC(O)C2)c(C(N)=O)cn1
InChIInChI=1S/C15H23FN4O2/c1-15(2,16)20-13-7-12(11(8-18-13)14(17)22)19-9-4-3-5-10(21)6-9/h7-10,21H,3-6H2,1-2H3,(H2,17,22)(H2,18,19,20)
InChIKeyPQFLTJYDXFJFHF-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.01
Rot. Bonds5

About 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide

6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide (PubChem CID 167147033) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide
PubChem CID167147033
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Name6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide
SMILESCC(C)(F)Nc1cc(NC2CCCC(O)C2)c(C(N)=O)cn1
InChIInChI=1S/C15H23FN4O2/c1-15(2,16)20-13-7-12(11(8-18-13)14(17)22)19-9-4-3-5-10(21)6-9/h7-10,21H,3-6H2,1-2H3,(H2,17,22)(H2,18,19,20)
InChIKeyPQFLTJYDXFJFHF-UHFFFAOYSA-N
XLogP2.01
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide (CID 167147033) is 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide is CC(C)(F)Nc1cc(NC2CCCC(O)C2)c(C(N)=O)cn1.
What is the InChIKey of 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide?
The InChIKey is PQFLTJYDXFJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-15(2,16)20-13-7-12(11(8-18-13)14(17)22)19-9-4-3-5-10(21)6-9/h7-10,21H,3-6H2,1-2H3,(H2,17,22)(H2,18,19,20).
What are the key properties of 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide?
6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-ylamino)-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 167147033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).