[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

C26H24N6O — CID 124956459

IUPAC[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(NCc2cccnc2)c1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C26H24N6O/c33-26(20-7-3-8-21(16-20)30-18-19-6-4-12-27-17-19)32-15-5-10-24(32)22-11-14-29-25(31-22)23-9-1-2-13-28-23/h1-4,6-9,11-14,16-17,24,30H,5,10,15,18H2/t24-/m1/s1
InChIKeyFRSZLQSZARXIAC-XMMPIXPASA-N
MW436.52 g/mol
LogP4.52
Rot. Bonds6

About [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 124956459) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID124956459
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(NCc2cccnc2)c1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C26H24N6O/c33-26(20-7-3-8-21(16-20)30-18-19-6-4-12-27-17-19)32-15-5-10-24(32)22-11-14-29-25(31-22)23-9-1-2-13-28-23/h1-4,6-9,11-14,16-17,24,30H,5,10,15,18H2/t24-/m1/s1
InChIKeyFRSZLQSZARXIAC-XMMPIXPASA-N
XLogP4.52
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124961803
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
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[(2S)-2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
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[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide
CID 125014859
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
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[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 110122581
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129457476
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 39688623

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone (CID 124956459) is [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc(NCc2cccnc2)c1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1.
What is the InChIKey of [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FRSZLQSZARXIAC-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(20-7-3-8-21(16-20)30-18-19-6-4-12-27-17-19)32-15-5-10-24(32)22-11-14-29-25(31-22)23-9-1-2-13-28-23/h1-4,6-9,11-14,16-17,24,30H,5,10,15,18H2/t24-/m1/s1.
What are the key properties of [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 436.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124956459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).