(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide

C20H30N4O3 — CID 146637371

IUPAC(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)22-17-8-7-14(12-21-17)18(25)24-10-9-15(13-24)23(4)19(26)16-6-5-11-27-16/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyGVYXIKUVZHPNFE-HOTGVXAUSA-N
MW374.49 g/mol
LogP2.14
Rot. Bonds4

About (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide

(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide (PubChem CID 146637371) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
PubChem CID146637371
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)22-17-8-7-14(12-21-17)18(25)24-10-9-15(13-24)23(4)19(26)16-6-5-11-27-16/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyGVYXIKUVZHPNFE-HOTGVXAUSA-N
XLogP2.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[6-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146592641
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146637372
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 146637411
N-cyclopentyl{8-methyl-5-oxo-2-[(oxolan-2-ylmethyl)amino](6-hydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
CID 3162243
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[6-(cis-2,6-dimethyl-morpholin-4-yl)-pyridin-3-ylamino]-nicotinamide
CID 118043263
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-(6-morpholin-4-yl-pyridin-3-ylamino)-nicotinamide
CID 118043312
6-(Acetamido)-N-[8-(morpholin-4-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]nicotinamide
CID 135429301
3-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 644480
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 649988
[2-(ethylamino)-8-methyl-5-oxo(6-hydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)]-N-(oxolan-2-ylmethyl)carboxamide
CID 3162249
1-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3241814

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide (CID 146637371) is (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide is CN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1.
What is the InChIKey of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
The InChIKey is GVYXIKUVZHPNFE-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-20(2,3)22-17-8-7-14(12-21-17)18(25)24-10-9-15(13-24)23(4)19(26)16-6-5-11-27-16/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 146637371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).