[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

C19H23N5O — CID 94616580

IUPAC[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C19H23N5O/c25-18(24-13-4-8-17(24)16-7-1-2-9-20-16)15-6-3-12-23(14-15)19-21-10-5-11-22-19/h1-2,5,7,9-11,15,17H,3-4,6,8,12-14H2/t15-,17-/m1/s1
InChIKeyMIPLSHLJBLWDSO-NVXWUHKLSA-N
MW337.43 g/mol
LogP2.45
Rot. Bonds3

About [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone (PubChem CID 94616580) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
PubChem CID94616580
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C19H23N5O/c25-18(24-13-4-8-17(24)16-7-1-2-9-20-16)15-6-3-12-23(14-15)19-21-10-5-11-22-19/h1-2,5,7,9-11,15,17H,3-4,6,8,12-14H2/t15-,17-/m1/s1
InChIKeyMIPLSHLJBLWDSO-NVXWUHKLSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone with MolForge

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Related Compounds

(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
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CID 55575940
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 125122675
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 98762961
2-[3-(2-pyridin-2-ylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 131908358
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone (CID 94616580) is [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone is O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The InChIKey is MIPLSHLJBLWDSO-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18(24-13-4-8-17(24)16-7-1-2-9-20-16)15-6-3-12-23(14-15)19-21-10-5-11-22-19/h1-2,5,7,9-11,15,17H,3-4,6,8,12-14H2/t15-,17-/m1/s1.
What are the key properties of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 94616580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).