(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide

C16H25N3O2 — CID 99841748

IUPAC(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCC[C@]1(COC)CCCN1C(=O)NCc1ccncc1
InChIInChI=1S/C16H25N3O2/c1-3-7-16(13-21-2)8-4-11-19(16)15(20)18-12-14-5-9-17-10-6-14/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyLPGKRVHDJRCBRE-MRXNPFEDSA-N
MW291.39 g/mol
LogP2.57
Rot. Bonds6

About (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide

(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 99841748) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID99841748
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCC[C@]1(COC)CCCN1C(=O)NCc1ccncc1
InChIInChI=1S/C16H25N3O2/c1-3-7-16(13-21-2)8-4-11-19(16)15(20)18-12-14-5-9-17-10-6-14/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyLPGKRVHDJRCBRE-MRXNPFEDSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide
CID 99838832
6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 129470689
furan-3-yl-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837225
(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 99842418
3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837210
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide
CID 132776423
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 86771534
2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 99841748) is (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide is CCC[C@]1(COC)CCCN1C(=O)NCc1ccncc1.
What is the InChIKey of (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is LPGKRVHDJRCBRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-7-16(13-21-2)8-4-11-19(16)15(20)18-12-14-5-9-17-10-6-14/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99841748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).