N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide

C19H26FN3O3 — CID 90204486

IUPACN-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCC(CF)Oc1cc(C(=O)NC(C)(CC(N)=O)C2CC2)ncc1C1CC1
InChIInChI=1S/C19H26FN3O3/c1-11(9-20)26-16-7-15(22-10-14(16)12-3-4-12)18(25)23-19(2,8-17(21)24)13-5-6-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyFLPDTGMQAJUKQC-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.47
Rot. Bonds9

About N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide

N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide (PubChem CID 90204486) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
PubChem CID90204486
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCC(CF)Oc1cc(C(=O)NC(C)(CC(N)=O)C2CC2)ncc1C1CC1
InChIInChI=1S/C19H26FN3O3/c1-11(9-20)26-16-7-15(22-10-14(16)12-3-4-12)18(25)23-19(2,8-17(21)24)13-5-6-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyFLPDTGMQAJUKQC-UHFFFAOYSA-N
XLogP2.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide (CID 90204486) is N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide is CC(CF)Oc1cc(C(=O)NC(C)(CC(N)=O)C2CC2)ncc1C1CC1.
What is the InChIKey of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
The InChIKey is FLPDTGMQAJUKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-11(9-20)26-16-7-15(22-10-14(16)12-3-4-12)18(25)23-19(2,8-17(21)24)13-5-6-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 90204486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).