N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

C16H22N4O2 — CID 119058442

IUPACN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1c(C)nc2ccccn12
InChIInChI=1S/C16H22N4O2/c1-11-13(20-7-5-4-6-15(20)17-11)8-16(21)18-12-9-19(2)10-14(12)22-3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)/t12-,14-/m0/s1
InChIKeyQTOZMSYLNIILRL-JSGCOSHPSA-N
MW302.38 g/mol
LogP0.63
Rot. Bonds4

About N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 119058442) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID119058442
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1c(C)nc2ccccn12
InChIInChI=1S/C16H22N4O2/c1-11-13(20-7-5-4-6-15(20)17-11)8-16(21)18-12-9-19(2)10-14(12)22-3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)/t12-,14-/m0/s1
InChIKeyQTOZMSYLNIILRL-JSGCOSHPSA-N
XLogP0.63
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 119058442) is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide is CO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1c(C)nc2ccccn12.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is QTOZMSYLNIILRL-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-13(20-7-5-4-6-15(20)17-11)8-16(21)18-12-9-19(2)10-14(12)22-3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 119058442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).