N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

C20H28N4O3 — CID 128912689

IUPACN-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(=O)N(C)c1ccc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)cn1
InChIInChI=1S/C20H28N4O3/c1-14(25)23(2)17-5-4-16(12-21-17)22-19(26)24-13-20(8-3-9-20)18(24)15-6-10-27-11-7-15/h4-5,12,15,18H,3,6-11,13H2,1-2H3,(H,22,26)
InChIKeyHTMAKEXMJRWJPA-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.88
Rot. Bonds3

About N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 128912689) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID128912689
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(=O)N(C)c1ccc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)cn1
InChIInChI=1S/C20H28N4O3/c1-14(25)23(2)17-5-4-16(12-21-17)22-19(26)24-13-20(8-3-9-20)18(24)15-6-10-27-11-7-15/h4-5,12,15,18H,3,6-11,13H2,1-2H3,(H,22,26)
InChIKeyHTMAKEXMJRWJPA-UHFFFAOYSA-N
XLogP2.88
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (CID 128912689) is N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is CC(=O)N(C)c1ccc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)cn1.
What is the InChIKey of N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is HTMAKEXMJRWJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(25)23(2)17-5-4-16(12-21-17)22-19(26)24-13-20(8-3-9-20)18(24)15-6-10-27-11-7-15/h4-5,12,15,18H,3,6-11,13H2,1-2H3,(H,22,26).
What are the key properties of N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl(methyl)amino]-3-pyridinyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 128912689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).