N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide

C15H21FN4O — CID 105385733

IUPACN-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)N(CC)CC(C)C#N)c1F
InChIInChI=1S/C15H21FN4O/c1-4-7-18-14-13(16)12(6-8-19-14)15(21)20(5-2)10-11(3)9-17/h6,8,11H,4-5,7,10H2,1-3H3,(H,18,19)
InChIKeyIQEKYEVIWGUDNC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.66
Rot. Bonds7

About N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide

N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105385733) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
PubChem CID105385733
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)N(CC)CC(C)C#N)c1F
InChIInChI=1S/C15H21FN4O/c1-4-7-18-14-13(16)12(6-8-19-14)15(21)20(5-2)10-11(3)9-17/h6,8,11H,4-5,7,10H2,1-3H3,(H,18,19)
InChIKeyIQEKYEVIWGUDNC-UHFFFAOYSA-N
XLogP2.66
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide (CID 105385733) is N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)N(CC)CC(C)C#N)c1F.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is IQEKYEVIWGUDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-4-7-18-14-13(16)12(6-8-19-14)15(21)20(5-2)10-11(3)9-17/h6,8,11H,4-5,7,10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).