N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide

C15H23N3O2 — CID 91839541

IUPACN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCCN1C[C@H](NC(=O)c2ccc(C)nc2C)[C@@H](OC)C1
InChIInChI=1S/C15H23N3O2/c1-5-18-8-13(14(9-18)20-4)17-15(19)12-7-6-10(2)16-11(12)3/h6-7,13-14H,5,8-9H2,1-4H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyAQFNGSOPEGMABR-KBPBESRZSA-N
MW277.37 g/mol
LogP1.15
Rot. Bonds4

About N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide

N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 91839541) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID91839541
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCCN1C[C@H](NC(=O)c2ccc(C)nc2C)[C@@H](OC)C1
InChIInChI=1S/C15H23N3O2/c1-5-18-8-13(14(9-18)20-4)17-15(19)12-7-6-10(2)16-11(12)3/h6-7,13-14H,5,8-9H2,1-4H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyAQFNGSOPEGMABR-KBPBESRZSA-N
XLogP1.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide (CID 91839541) is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide is CCN1C[C@H](NC(=O)c2ccc(C)nc2C)[C@@H](OC)C1.
What is the InChIKey of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is AQFNGSOPEGMABR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-18-8-13(14(9-18)20-4)17-15(19)12-7-6-10(2)16-11(12)3/h6-7,13-14H,5,8-9H2,1-4H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide?
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91839541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).