N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide

C14H21N3O2 — CID 122567974

IUPACN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide
SMILESCCN1C[C@H](NC(=O)c2ccncc2C)[C@@H](OC)C1
InChIInChI=1S/C14H21N3O2/c1-4-17-8-12(13(9-17)19-3)16-14(18)11-5-6-15-7-10(11)2/h5-7,12-13H,4,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyGHRRXZSUJFOVMQ-STQMWFEESA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds4

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

N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide (PubChem CID 122567974) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide
PubChem CID122567974
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide
SMILESCCN1C[C@H](NC(=O)c2ccncc2C)[C@@H](OC)C1
InChIInChI=1S/C14H21N3O2/c1-4-17-8-12(13(9-17)19-3)16-14(18)11-5-6-15-7-10(11)2/h5-7,12-13H,4,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyGHRRXZSUJFOVMQ-STQMWFEESA-N
XLogP0.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide
CID 122563643
4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
CID 133267024
3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
CID 133268317
3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide
CID 91763224
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-amine;formic acid
CID 154908959
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67794762
N-(2-ethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443584
N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide
CID 154767252
3-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069157
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide (CID 122567974) is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide is CCN1C[C@H](NC(=O)c2ccncc2C)[C@@H](OC)C1.
What is the InChIKey of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is GHRRXZSUJFOVMQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17-8-12(13(9-17)19-3)16-14(18)11-5-6-15-7-10(11)2/h5-7,12-13H,4,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide?
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.84, 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]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 122567974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).