2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C20H26N6O — CID 124966469

IUPAC2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1ncc(-c2ccc([C@@H]3CCCCN3CC(=O)N3CCCC3)cn2)cn1
InChIInChI=1S/C20H26N6O/c21-20-23-12-16(13-24-20)17-7-6-15(11-22-17)18-5-1-2-10-26(18)14-19(27)25-8-3-4-9-25/h6-7,11-13,18H,1-5,8-10,14H2,(H2,21,23,24)/t18-/m0/s1
InChIKeyIMCLTWWIWSEOTR-SFHVURJKSA-N
MW366.47 g/mol
LogP2.27
Rot. Bonds4

About 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 124966469) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID124966469
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1ncc(-c2ccc([C@@H]3CCCCN3CC(=O)N3CCCC3)cn2)cn1
InChIInChI=1S/C20H26N6O/c21-20-23-12-16(13-24-20)17-7-6-15(11-22-17)18-5-1-2-10-26(18)14-19(27)25-8-3-4-9-25/h6-7,11-13,18H,1-5,8-10,14H2,(H2,21,23,24)/t18-/m0/s1
InChIKeyIMCLTWWIWSEOTR-SFHVURJKSA-N
XLogP2.27
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 127252050
1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 55829549
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9135130
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 9135313
4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide
CID 127249679
ethyl 1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47010681
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
CID 54069668
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78790074
2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135
ethyl 1-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47019473

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 124966469) is 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is Nc1ncc(-c2ccc([C@@H]3CCCCN3CC(=O)N3CCCC3)cn2)cn1.
What is the InChIKey of 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is IMCLTWWIWSEOTR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N6O/c21-20-23-12-16(13-24-20)17-7-6-15(11-22-17)18-5-1-2-10-26(18)14-19(27)25-8-3-4-9-25/h6-7,11-13,18H,1-5,8-10,14H2,(H2,21,23,24)/t18-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 366.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124966469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).