N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide

C21H33N5O3 — CID 146637379

IUPACN-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C21H33N5O3/c1-21(2,3)23-18-6-5-16(13-22-18)20(28)26-8-7-17(14-26)24(4)19(27)15-25-9-11-29-12-10-25/h5-6,13,17H,7-12,14-15H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyLHKTYODTFOXDGN-KRWDZBQOSA-N
MW403.53 g/mol
LogP1.30
Rot. Bonds5

About N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide

N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 146637379) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide
PubChem CID146637379
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC NameN-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C21H33N5O3/c1-21(2,3)23-18-6-5-16(13-22-18)20(28)26-8-7-17(14-26)24(4)19(27)15-25-9-11-29-12-10-25/h5-6,13,17H,7-12,14-15H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyLHKTYODTFOXDGN-KRWDZBQOSA-N
XLogP1.30
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide (CID 146637379) is N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide is CN(C(=O)CN1CCOCC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1.
What is the InChIKey of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is LHKTYODTFOXDGN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-21(2,3)23-18-6-5-16(13-22-18)20(28)26-8-7-17(14-26)24(4)19(27)15-25-9-11-29-12-10-25/h5-6,13,17H,7-12,14-15H2,1-4H3,(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 403.53 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 146637379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).