N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

C20H24F2N4O3 — CID 162565999

IUPACN-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(OCC(C)(F)F)cn2)cc(C)n1
InChIInChI=1S/C20H24F2N4O3/c1-5-18(27)26-17-9-14(8-12(2)24-17)19(28)25-13(3)16-7-6-15(10-23-16)29-11-20(4,21)22/h6-10,13H,5,11H2,1-4H3,(H,25,28)(H,24,26,27)/t13-/m1/s1
InChIKeyVJRVHQVHCSSAHF-CYBMUJFWSA-N
MW406.43 g/mol
LogP3.66
Rot. Bonds8

About N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 162565999) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
PubChem CID162565999
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC NameN-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(OCC(C)(F)F)cn2)cc(C)n1
InChIInChI=1S/C20H24F2N4O3/c1-5-18(27)26-17-9-14(8-12(2)24-17)19(28)25-13(3)16-7-6-15(10-23-16)29-11-20(4,21)22/h6-10,13H,5,11H2,1-4H3,(H,25,28)(H,24,26,27)/t13-/m1/s1
InChIKeyVJRVHQVHCSSAHF-CYBMUJFWSA-N
XLogP3.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (CID 162565999) is N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(OCC(C)(F)F)cn2)cc(C)n1.
What is the InChIKey of N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is VJRVHQVHCSSAHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-5-18(27)26-17-9-14(8-12(2)24-17)19(28)25-13(3)16-7-6-15(10-23-16)29-11-20(4,21)22/h6-10,13H,5,11H2,1-4H3,(H,25,28)(H,24,26,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 162565999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).