N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide

C17H18N4O — CID 166323522

IUPACN-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCN(c2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C17H18N4O/c1-2-16(22)19-14-7-8-21(11-14)17-13(10-18)9-12-5-3-4-6-15(12)20-17/h3-6,9,14H,2,7-8,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyMNQJHQXJUPSGMA-AWEZNQCLSA-N
MW294.36 g/mol
LogP2.21
Rot. Bonds3

About N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide

N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide (PubChem CID 166323522) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
PubChem CID166323522
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCN(c2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C17H18N4O/c1-2-16(22)19-14-7-8-21(11-14)17-13(10-18)9-12-5-3-4-6-15(12)20-17/h3-6,9,14H,2,7-8,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyMNQJHQXJUPSGMA-AWEZNQCLSA-N
XLogP2.21
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide (CID 166323522) is N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide is CCC(=O)N[C@H]1CCN(c2nc3ccccc3cc2C#N)C1.
What is the InChIKey of N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is MNQJHQXJUPSGMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-16(22)19-14-7-8-21(11-14)17-13(10-18)9-12-5-3-4-6-15(12)20-17/h3-6,9,14H,2,7-8,11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide?
N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 294.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 166323522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).