1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one

C17H26N4O — CID 95143523

IUPAC1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1cccc(NC[C@H]2CCN(CCN3CCCC3=O)C2)n1
InChIInChI=1S/C17H26N4O/c1-14-4-2-5-16(19-14)18-12-15-7-9-20(13-15)10-11-21-8-3-6-17(21)22/h2,4-5,15H,3,6-13H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyPKMNYLAOMUIZAI-OAHLLOKOSA-N
MW302.42 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 95143523) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID95143523
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1cccc(NC[C@H]2CCN(CCN3CCCC3=O)C2)n1
InChIInChI=1S/C17H26N4O/c1-14-4-2-5-16(19-14)18-12-15-7-9-20(13-15)10-11-21-8-3-6-17(21)22/h2,4-5,15H,3,6-13H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyPKMNYLAOMUIZAI-OAHLLOKOSA-N
XLogP1.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one (CID 95143523) is 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one is Cc1cccc(NC[C@H]2CCN(CCN3CCCC3=O)C2)n1.
What is the InChIKey of 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is PKMNYLAOMUIZAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14-4-2-5-16(19-14)18-12-15-7-9-20(13-15)10-11-21-8-3-6-17(21)22/h2,4-5,15H,3,6-13H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 95143523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).