[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C23H25N5O — CID 124966610

IUPAC[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1
InChIInChI=1S/C23H25N5O/c1-15-4-6-19(7-5-15)27-20-10-16(2)26-21(11-20)18-8-9-28(14-18)23(29)22-13-24-17(3)12-25-22/h4-7,10-13,18H,8-9,14H2,1-3H3,(H,26,27)/t18-/m0/s1
InChIKeyINAQTMPSXWYQFB-SFHVURJKSA-N
MW387.49 g/mol
LogP4.17
Rot. Bonds4

About [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 124966610) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID124966610
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1
InChIInChI=1S/C23H25N5O/c1-15-4-6-19(7-5-15)27-20-10-16(2)26-21(11-20)18-8-9-28(14-18)23(29)22-13-24-17(3)12-25-22/h4-7,10-13,18H,8-9,14H2,1-3H3,(H,26,27)/t18-/m0/s1
InChIKeyINAQTMPSXWYQFB-SFHVURJKSA-N
XLogP4.17
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028
[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 127249016
[2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251614
[(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 124965137
(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124941665
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124988539
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 124966610) is [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1.
What is the InChIKey of [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is INAQTMPSXWYQFB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-4-6-19(7-5-15)27-20-10-16(2)26-21(11-20)18-8-9-28(14-18)23(29)22-13-24-17(3)12-25-22/h4-7,10-13,18H,8-9,14H2,1-3H3,(H,26,27)/t18-/m0/s1.
What are the key properties of [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 124966610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).