1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C20H30N4O3 — CID 55609235

IUPAC1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)19(26)24-9-5-7-16(24)18(25)22-14-15-6-4-8-21-17(15)23-10-12-27-13-11-23/h4,6,8,16H,5,7,9-14H2,1-3H3,(H,22,25)
InChIKeyJYVQMNKIHLHHBM-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.57
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 55609235) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID55609235
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)19(26)24-9-5-7-16(24)18(25)22-14-15-6-4-8-21-17(15)23-10-12-27-13-11-23/h4,6,8,16H,5,7,9-14H2,1-3H3,(H,22,25)
InChIKeyJYVQMNKIHLHHBM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
3-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847187
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 51085674
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 55609235) is 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JYVQMNKIHLHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-20(2,3)19(26)24-9-5-7-16(24)18(25)22-14-15-6-4-8-21-17(15)23-10-12-27-13-11-23/h4,6,8,16H,5,7,9-14H2,1-3H3,(H,22,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55609235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).