N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide

C23H32F2N4O4 — CID 151060495

IUPACN-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(CC(N)=O)C1CCOCC1
InChIInChI=1S/C23H32F2N4O4/c1-2-29(19(11-20(26)30)16-7-9-32-10-8-16)22(31)17-5-6-18(28-13-23(24,25)14-28)21(27-17)33-12-15-3-4-15/h5-6,15-16,19H,2-4,7-14H2,1H3,(H2,26,30)
InChIKeyMGBISOXGFXVJRI-UHFFFAOYSA-N
MW466.53 g/mol
LogP2.46
Rot. Bonds10

About N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide

N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide (PubChem CID 151060495) has the molecular formula C23H32F2N4O4 and a molecular weight of 466.53 g/mol. Its IUPAC name is N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
PubChem CID151060495
Molecular FormulaC23H32F2N4O4
Molecular Weight466.53 g/mol
Exact Mass466.24
IUPAC NameN-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(CC(N)=O)C1CCOCC1
InChIInChI=1S/C23H32F2N4O4/c1-2-29(19(11-20(26)30)16-7-9-32-10-8-16)22(31)17-5-6-18(28-13-23(24,25)14-28)21(27-17)33-12-15-3-4-15/h5-6,15-16,19H,2-4,7-14H2,1H3,(H2,26,30)
InChIKeyMGBISOXGFXVJRI-UHFFFAOYSA-N
XLogP2.46
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide (CID 151060495) is N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide is CCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(CC(N)=O)C1CCOCC1.
What is the InChIKey of N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
The InChIKey is MGBISOXGFXVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O4/c1-2-29(19(11-20(26)30)16-7-9-32-10-8-16)22(31)17-5-6-18(28-13-23(24,25)14-28)21(27-17)33-12-15-3-4-15/h5-6,15-16,19H,2-4,7-14H2,1H3,(H2,26,30).
What are the key properties of N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 151060495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).