(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide

C18H26N4O3 — CID 154736035

IUPAC(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)Nc2ccc(C)nc2C)C1
InChIInChI=1S/C18H26N4O3/c1-12-6-7-15(13(2)19-12)20-18(24)22-11-14(25-3)10-16(22)17(23)21-8-4-5-9-21/h6-7,14,16H,4-5,8-11H2,1-3H3,(H,20,24)/t14-,16-/m0/s1
InChIKeyXXMUNSSEXXNRJG-HOCLYGCPSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds3

About (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide

(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 154736035) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide
PubChem CID154736035
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)Nc2ccc(C)nc2C)C1
InChIInChI=1S/C18H26N4O3/c1-12-6-7-15(13(2)19-12)20-18(24)22-11-14(25-3)10-16(22)17(23)21-8-4-5-9-21/h6-7,14,16H,4-5,8-11H2,1-3H3,(H,20,24)/t14-,16-/m0/s1
InChIKeyXXMUNSSEXXNRJG-HOCLYGCPSA-N
XLogP1.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 128977974
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
CID 110875982
1-[(3-chloro-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61181381
[(2S,4S)-1-(isoquinoline-8-carbonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 138002534
methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 75420393
1-[(3-bromo-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107627283
N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 166228625
4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62996183
N-(2,6-dimethyl-3-pyridinyl)-3-[(2-methylphenyl)methoxy]azetidine-1-carboxamide
CID 72930456
4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189078
4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107265732

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide (CID 154736035) is (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide is CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)Nc2ccc(C)nc2C)C1.
What is the InChIKey of (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is XXMUNSSEXXNRJG-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-6-7-15(13(2)19-12)20-18(24)22-11-14(25-3)10-16(22)17(23)21-8-4-5-9-21/h6-7,14,16H,4-5,8-11H2,1-3H3,(H,20,24)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide?
(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154736035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).