3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide

C16H25N3O2 — CID 128982012

IUPAC3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCCc1cccnc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C16H25N3O2/c1-5-12-7-6-8-17-15(12)16(20)19(3)10-13-9-14(21-4)11-18(13)2/h6-8,13-14H,5,9-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyVBPXZOXMZFSOHD-KBPBESRZSA-N
MW291.39 g/mol
LogP1.44
Rot. Bonds5

About 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide

3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 128982012) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID128982012
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCCc1cccnc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C16H25N3O2/c1-5-12-7-6-8-17-15(12)16(20)19(3)10-13-9-14(21-4)11-18(13)2/h6-8,13-14H,5,9-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyVBPXZOXMZFSOHD-KBPBESRZSA-N
XLogP1.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide (CID 128982012) is 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide is CCc1cccnc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is VBPXZOXMZFSOHD-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-12-7-6-8-17-15(12)16(20)19(3)10-13-9-14(21-4)11-18(13)2/h6-8,13-14H,5,9-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 128982012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).