N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H27N5O2 — CID 91923187

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H]1CN(c2ccccn2)C[C@H]1CN(C)C
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-22-13)9-19(25)21-17-12-24(11-15(17)10-23(3)4)18-7-5-6-8-20-18/h5-8,15,17H,9-12H2,1-4H3,(H,21,25)/t15-,17-/m1/s1
InChIKeyMHGHGKUXXMSPID-NVXWUHKLSA-N
MW357.46 g/mol
LogP1.41
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 91923187) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID91923187
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H]1CN(c2ccccn2)C[C@H]1CN(C)C
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-22-13)9-19(25)21-17-12-24(11-15(17)10-23(3)4)18-7-5-6-8-20-18/h5-8,15,17H,9-12H2,1-4H3,(H,21,25)/t15-,17-/m1/s1
InChIKeyMHGHGKUXXMSPID-NVXWUHKLSA-N
XLogP1.41
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 91923187) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)N[C@@H]1CN(c2ccccn2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is MHGHGKUXXMSPID-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-16(14(2)26-22-13)9-19(25)21-17-12-24(11-15(17)10-23(3)4)18-7-5-6-8-20-18/h5-8,15,17H,9-12H2,1-4H3,(H,21,25)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 91923187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).