(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide

C19H30N4O2 — CID 98753721

IUPAC(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H30N4O2/c1-14-4-5-15(2)23(14)16(3)19(24)21-13-17-6-7-18(20-12-17)22-8-10-25-11-9-22/h6-7,12,14-16H,4-5,8-11,13H2,1-3H3,(H,21,24)/t14-,15+,16-/m1/s1
InChIKeyCMMGOCJDAYECQM-OWCLPIDISA-N
MW346.48 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide

(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide (PubChem CID 98753721) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
PubChem CID98753721
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H30N4O2/c1-14-4-5-15(2)23(14)16(3)19(24)21-13-17-6-7-18(20-12-17)22-8-10-25-11-9-22/h6-7,12,14-16H,4-5,8-11,13H2,1-3H3,(H,21,24)/t14-,15+,16-/m1/s1
InChIKeyCMMGOCJDAYECQM-OWCLPIDISA-N
XLogP1.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 122279120
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24613317
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801577
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide (CID 98753721) is (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide is C[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is CMMGOCJDAYECQM-OWCLPIDISA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-4-5-15(2)23(14)16(3)19(24)21-13-17-6-7-18(20-12-17)22-8-10-25-11-9-22/h6-7,12,14-16H,4-5,8-11,13H2,1-3H3,(H,21,24)/t14-,15+,16-/m1/s1.
What are the key properties of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 98753721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).