3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline

C23H21N5 — CID 50948130

IUPAC3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
SMILESc1ccc2ncc(-c3cc(C4CCN(Cc5cncnc5)C4)ccn3)cc2c1
InChIInChI=1S/C23H21N5/c1-2-4-22-19(3-1)9-21(13-27-22)23-10-18(5-7-26-23)20-6-8-28(15-20)14-17-11-24-16-25-12-17/h1-5,7,9-13,16,20H,6,8,14-15H2
InChIKeyNDQQDINFKAUXKY-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.08
Rot. Bonds4

About 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline

3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline (PubChem CID 50948130) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
PubChem CID50948130
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
SMILESc1ccc2ncc(-c3cc(C4CCN(Cc5cncnc5)C4)ccn3)cc2c1
InChIInChI=1S/C23H21N5/c1-2-4-22-19(3-1)9-21(13-27-22)23-10-18(5-7-26-23)20-6-8-28(15-20)14-17-11-24-16-25-12-17/h1-5,7,9-13,16,20H,6,8,14-15H2
InChIKeyNDQQDINFKAUXKY-UHFFFAOYSA-N
XLogP4.08
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenyl]ethanone
CID 50963042
5-[[(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95132668
5-[[(3R)-3-[2-(1-benzothiophen-3-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95148833
[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
CID 95131742
2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
CID 95129452
3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95127637
2-pyridin-4-yl-4-[(3S)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]pyridine
CID 95119958
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 50963081
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
2-(4-methoxyphenyl)-5-[1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615482

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline?
The IUPAC name of 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline (CID 50948130) is 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline is c1ccc2ncc(-c3cc(C4CCN(Cc5cncnc5)C4)ccn3)cc2c1.
What is the InChIKey of 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline?
The InChIKey is NDQQDINFKAUXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-4-22-19(3-1)9-21(13-27-22)23-10-18(5-7-26-23)20-6-8-28(15-20)14-17-11-24-16-25-12-17/h1-5,7,9-13,16,20H,6,8,14-15H2.
What are the key properties of 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline?
3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline has a molecular weight of 367.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 50948130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).