5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine

C21H29N5 — CID 25289570

IUPAC5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)nc1
InChIInChI=1S/C21H29N5/c1-2-17-13-23-21(24-14-17)26-11-7-20(16-26)19-5-9-25(10-6-19)15-18-4-3-8-22-12-18/h3-4,8,12-14,19-20H,2,5-7,9-11,15-16H2,1H3/t20-/m0/s1
InChIKeyDUDUTIWFGBPHLX-FQEVSTJZSA-N
MW351.50 g/mol
LogP3.17
Rot. Bonds5

About 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine

5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine (PubChem CID 25289570) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
PubChem CID25289570
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)nc1
InChIInChI=1S/C21H29N5/c1-2-17-13-23-21(24-14-17)26-11-7-20(16-26)19-5-9-25(10-6-19)15-18-4-3-8-22-12-18/h3-4,8,12-14,19-20H,2,5-7,9-11,15-16H2,1H3/t20-/m0/s1
InChIKeyDUDUTIWFGBPHLX-FQEVSTJZSA-N
XLogP3.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
CID 42458383
(7aR)-2-(5-ethylpyrimidin-2-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 66837618
4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 45220184
(3aS,6aR)-2-(5-ethylpyrimidin-2-yl)-5-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124835890
3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
CID 42293192
2-propyl-5-[[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 42148205
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone
CID 45234686
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate
CID 26394539
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine (CID 25289570) is 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine is CCc1cnc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)nc1.
What is the InChIKey of 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is DUDUTIWFGBPHLX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N5/c1-2-17-13-23-21(24-14-17)26-11-7-20(16-26)19-5-9-25(10-6-19)15-18-4-3-8-22-12-18/h3-4,8,12-14,19-20H,2,5-7,9-11,15-16H2,1H3/t20-/m0/s1.
What are the key properties of 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 351.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 25289570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).