2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide

C19H30N4O2 — CID 128739633

IUPAC2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCC1CC(N2CCOCC2)CN1C(=O)NCC(C)(C)c1cccnc1
InChIInChI=1S/C19H30N4O2/c1-15-11-17(22-7-9-25-10-8-22)13-23(15)18(24)21-14-19(2,3)16-5-4-6-20-12-16/h4-6,12,15,17H,7-11,13-14H2,1-3H3,(H,21,24)
InChIKeyNHOLQTQKBASHGB-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide

2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 128739633) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID128739633
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCC1CC(N2CCOCC2)CN1C(=O)NCC(C)(C)c1cccnc1
InChIInChI=1S/C19H30N4O2/c1-15-11-17(22-7-9-25-10-8-22)13-23(15)18(24)21-14-19(2,3)16-5-4-6-20-12-16/h4-6,12,15,17H,7-11,13-14H2,1-3H3,(H,21,24)
InChIKeyNHOLQTQKBASHGB-UHFFFAOYSA-N
XLogP1.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165
1-(2-morpholin-4-ylphenyl)-1-pyridin-3-ylethanol
CID 175567529
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
(2R,3S)-2-(hydroxymethyl)-3-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pyrrolidine-1-carboxamide
CID 99831702
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide (CID 128739633) is 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide is CC1CC(N2CCOCC2)CN1C(=O)NCC(C)(C)c1cccnc1.
What is the InChIKey of 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is NHOLQTQKBASHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-11-17(22-7-9-25-10-8-22)13-23(15)18(24)21-14-19(2,3)16-5-4-6-20-12-16/h4-6,12,15,17H,7-11,13-14H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide?
2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-pyridin-3-ylpropyl)-4-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 128739633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).