N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide

C18H24N2O3 — CID 133265898

IUPACN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2C2CCCC2)ccc1=O
InChIInChI=1S/C18H24N2O3/c1-20-10-12(6-7-14(20)21)18(22)19-16-13-8-9-23-17(13)15(16)11-4-2-3-5-11/h6-7,10-11,13,15-17H,2-5,8-9H2,1H3,(H,19,22)/t13-,15+,16+,17-/m1/s1
InChIKeyVMBPKVUNVYTBOT-BSWAZPDLSA-N
MW316.40 g/mol
LogP1.71
Rot. Bonds3

About N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 133265898) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID133265898
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2C2CCCC2)ccc1=O
InChIInChI=1S/C18H24N2O3/c1-20-10-12(6-7-14(20)21)18(22)19-16-13-8-9-23-17(13)15(16)11-4-2-3-5-11/h6-7,10-11,13,15-17H,2-5,8-9H2,1H3,(H,19,22)/t13-,15+,16+,17-/m1/s1
InChIKeyVMBPKVUNVYTBOT-BSWAZPDLSA-N
XLogP1.71
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 133265898) is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2C2CCCC2)ccc1=O.
What is the InChIKey of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is VMBPKVUNVYTBOT-BSWAZPDLSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20-10-12(6-7-14(20)21)18(22)19-16-13-8-9-23-17(13)15(16)11-4-2-3-5-11/h6-7,10-11,13,15-17H,2-5,8-9H2,1H3,(H,19,22)/t13-,15+,16+,17-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 133265898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).