[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone

C19H23N5O — CID 124978558

IUPAC[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
SMILESCc1nccc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-20-9-7-16(22-14)17-5-4-12-24(17)19(25)15-6-8-21-18(13-15)23-10-2-3-11-23/h6-9,13,17H,2-5,10-12H2,1H3/t17-/m0/s1
InChIKeyLUUYUWJEICTHFG-KRWDZBQOSA-N
MW337.43 g/mol
LogP2.76
Rot. Bonds3

About [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone

[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone (PubChem CID 124978558) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
PubChem CID124978558
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
SMILESCc1nccc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-20-9-7-16(22-14)17-5-4-12-24(17)19(25)15-6-8-21-18(13-15)23-10-2-3-11-23/h6-9,13,17H,2-5,10-12H2,1H3/t17-/m0/s1
InChIKeyLUUYUWJEICTHFG-KRWDZBQOSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 110103815
[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110103842
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110103818
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
(4-fluorophenyl)-[(2R)-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)azetidin-1-yl]methanone
CID 95847414
(4-fluorophenyl)-[(2S)-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)azetidin-1-yl]methanone
CID 95847413
(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496
[(2R)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95816160
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone (CID 124978558) is [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone is Cc1nccc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)n1.
What is the InChIKey of [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The InChIKey is LUUYUWJEICTHFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-20-9-7-16(22-14)17-5-4-12-24(17)19(25)15-6-8-21-18(13-15)23-10-2-3-11-23/h6-9,13,17H,2-5,10-12H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone has a molecular weight of 337.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 124978558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).